Mrv1909 05201915282D          

 26 29  0  0  0  0            999 V2000
   -0.9355    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -2.8875    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
   -0.9355   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
M  CHG  1   8   1
M  ISO  1   1  18
M  END
> <DATABASE_ID>
DB15424

> <DATABASE_NAME>
drugbank

> <SMILES>
[18F]C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H19FP/c25-20-16-18-24(19-17-20)26(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1/i25-1

> <INCHI_KEY>
QWPLCHDPESWJRN-FNNGWQQSSA-N

> <FORMULA>
C24H19FP

> <MOLECULAR_WEIGHT>
356.39

> <EXACT_MASS>
356.122826697

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
37.689978736432586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[4-(¹⁸F)fluorophenyl]triphenylphosphanium

> <ALOGPS_LOGP>
6.51

> <JCHEM_LOGP>
6.220895408333334

> <ALOGPS_LOGS>
-7.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
107.31360000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.74e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB15424

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Bfpet F-18

> <SYNONYMS>
18F-TPP

$$$$