Mrv1652306031609502D          

 27 30  0  0  0  0            999 V2000
    7.2961    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7220    3.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2069    2.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8072    0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2551    0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5817    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0340    5.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0575    4.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    5.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0274    2.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5522    1.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5190    4.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4482    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8672    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7251    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5258    2.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8780    4.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    3.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7453    1.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1834    3.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3328    2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6683    3.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    1.3990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4396    1.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4888    3.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 18  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 19 18  1  0  0  0  0
 20 12  2  0  0  0  0
 21 13  2  0  0  0  0
 21 19  1  0  0  0  0
 22 17  2  0  0  0  0
 22 20  1  0  0  0  0
 23 14  2  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 26 17  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045941

> <DATABASE_NAME>
chemdb

> <SMILES>
FCCCCCN1C=C(C(=O)C2=CC=CC3=CC=CC=C23)C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2

> <INCHI_KEY>
ALQFAGFPQCBPED-UHFFFAOYSA-N

> <FORMULA>
C24H22FNO

> <MOLECULAR_WEIGHT>
359.444

> <EXACT_MASS>
359.168542495

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
40.90092878615265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(5-fluoropentyl)-3-(naphthalene-1-carbonyl)-1H-indole

> <ALOGPS_LOGP>
5.56

> <JCHEM_LOGP>
5.967394505666667

> <ALOGPS_LOGS>
-5.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.628052038198705

> <JCHEM_POLAR_SURFACE_AREA>
22.0

> <JCHEM_REFRACTIVITY>
107.77809999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.28e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(5-fluoropentyl)-3-(naphthalene-1-carbonyl)indole

> <JCHEM_VEBER_RULE>
1

> <NAME>
AM-2201

> <CAS>
335161-24-5

$$$$