Mrv1652306031606512D          

 19 22  0  0  1  0            999 V2000
    0.7391    1.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9742    0.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    2.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205    2.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8149    1.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767    0.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110    2.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    1.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    2.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900    0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087    1.9779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1765    1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    2.9141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3439    1.1871    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6776    2.3718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844    0.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329    2.0143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0805    3.7095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
 10  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 15  9  1  6  0  0  0
 15 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 12 18  1  1  0  0  0
 14 19  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM043374

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@]12CC3=C(C=C(O)C=C3)[C@@]3(CN1)CCCC[C@]23[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H19NO/c17-11-5-4-10-7-14-12-3-1-2-6-15(12,9-16-14)13(10)8-11/h4-5,8,12,14,16-17H,1-3,6-7,9H2/t12-,14-,15-/m1/s1

> <INCHI_KEY>
URGAUTXLLRGLSX-BPLDGKMQSA-N

> <FORMULA>
C15H19NO

> <MOLECULAR_WEIGHT>
229.323

> <EXACT_MASS>
229.146664236

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.09053125546867

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9R,10S)-16-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-4-ol

> <ALOGPS_LOGP>
2.25

> <JCHEM_LOGP>
1.672822215878499

> <ALOGPS_LOGS>
-3.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.013675954931264

> <JCHEM_PKA_STRONGEST_BASIC>
11.181303209168746

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
68.03120000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9R,10S)-16-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-4-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
N-desmehtyldextrorphan

$$$$