Mrv1652306031608352D          

 26 29  0  0  0  0            999 V2000
    2.0945    9.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    6.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695    6.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    8.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    8.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    7.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    7.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    5.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    3.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7925    3.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    5.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    7.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    6.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    6.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    4.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0475    4.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    6.7530    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  2  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 26 20  1  0  0  0  0
 26 21  1  0  0  0  0
 26 22  1  0  0  0  0
M  CHG  1  26   1
M  END
> <DATABASE_ID>
CHEM044800

> <DATABASE_NAME>
chemdb

> <SMILES>
C(C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1OCCO1

> <INCHI_IDENTIFIER>
InChI=1S/C23H24O2P/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23/h1-15,23H,16-19H2/q+1

> <INCHI_KEY>
JQBZKUAKVQWPBW-UHFFFAOYSA-N

> <FORMULA>
C23H24O2P

> <MOLECULAR_WEIGHT>
363.416

> <EXACT_MASS>
363.150843431

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
39.80127550497704

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphanium

> <ALOGPS_LOGP>
5.28

> <JCHEM_LOGP>
4.9584961833333345

> <ALOGPS_LOGS>
-7.48

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
-4.033062571005917

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
106.52860000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(1,3-dioxolan-2-yl)ethyl]triphenylphosphanium

> <JCHEM_VEBER_RULE>
1

> <NAME>
(2-(1,3-dioxolan-2-yl)ethyl)triphenylphosphonium

$$$$