Mrv1652306031607522D          

 29 30  0  0  0  0            999 V2000
    8.4885   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2030  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9175   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6319  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3464   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0609  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7753   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4898  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2043   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9188  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6332   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3477  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0622   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7766  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4911   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2056  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9201   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6345  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0299   -8.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8368   -8.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3490   -9.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5805   -9.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5287   -8.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4440  -10.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2509  -10.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0635  -10.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7521   -9.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7003   -9.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7779   -9.8675    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010102

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCCCCP1C2CCC1CCCC2

> <INCHI_IDENTIFIER>
InChI=1S/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-29-27-22-19-20-23-28(29)25-24-27/h27-28H,2-26H2,1H3

> <INCHI_KEY>
UNOOEFGBOLKBFW-UHFFFAOYSA-N

> <FORMULA>
C28H55P

> <MOLECULAR_WEIGHT>
422.722

> <EXACT_MASS>
422.404138769

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
58.15258568671045

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-icosyl-9-phosphabicyclo[4.2.1]nonane

> <ALOGPS_LOGP>
10.91

> <JCHEM_LOGP>
9.655500000000002

> <ALOGPS_LOGS>
-8.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.714998466343188

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
138.01739999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.14e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-icosyl-9-phosphabicyclo[4.2.1]nonane

> <JCHEM_VEBER_RULE>
0

> <NAME>
9-Phosphabicyclo[4.2.1]nonane, 9-eicosyl-

> <CAS>
13886-99-2

> <SYNONYMS>
9-icosyl-9-phosphabicyclo[4.2.1]nonane

$$$$