Mrv0541 05061305342D          

  5  4  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM024901

> <DATABASE_NAME>
chemdb

> <SMILES>
C[Se]CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H8Se/c1-3-4-5-2/h3H,1,4H2,2H3

> <INCHI_KEY>
FLYUHVDDRSUKDK-UHFFFAOYSA-N

> <FORMULA>
C4H8Se

> <MOLECULAR_WEIGHT>
135.07

> <EXACT_MASS>
135.979122084

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.571414767935126

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(methylselanyl)prop-1-ene

> <ALOGPS_LOGP>
1.27

> <JCHEM_LOGP>
1.2664

> <ALOGPS_LOGS>
-1.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
33.425

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.00e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(methylselanyl)prop-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methyl 2-propenyl selenide

> <CAS>
93370-41-3

$$$$