Mrv1572004191602512D          

  9 10  0  0  0  0            999 V2000
    3.1793    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    1.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7709   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219    0.9044    0.0000 P   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
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009982

> <DATABASE_NAME>
chemdb

> <SMILES>
C1CC2CCCCC1P2

> <INCHI_IDENTIFIER>
InChI=1S/C8H15P/c1-2-4-8-6-5-7(3-1)9-8/h7-9H,1-6H2

> <INCHI_KEY>
RTWRUXIOIPQRRE-UHFFFAOYSA-N

> <FORMULA>
C8H15P

> <MOLECULAR_WEIGHT>
142.182

> <EXACT_MASS>
142.091137481

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
15.862005855753413

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-phosphabicyclo[4.2.1]nonane

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
1.6150000000000002

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.4419711366652432

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
40.919399999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-phosphabicyclo[4.2.1]nonane

> <JCHEM_VEBER_RULE>
1

> <NAME>
9-Phosphabicyclo[4.2.1]nonane

> <CAS>
13396-80-0

$$$$