Mrv0541 05031423472D          

 17 19  0  0  0  0            999 V2000
   -2.2585    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 10  2  0  0  0  0
 16 13  1  4  0  0  0
 17 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003958

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(O)=NC1=CC=C2C(CC3=CC=CC=C23)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)

> <INCHI_KEY>
CZIHNRWJTSTCEX-UHFFFAOYSA-N

> <FORMULA>
C15H13NO

> <MOLECULAR_WEIGHT>
223.2698

> <EXACT_MASS>
223.099714043

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
25.50741013221534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(9H-fluoren-2-yl)ethanimidic acid

> <ALOGPS_LOGP>
3.63

> <JCHEM_LOGP>
3.7041864266666664

> <ALOGPS_LOGS>
-4.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.17063297680757

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.70603904771289

> <JCHEM_PKA_STRONGEST_BASIC>
1.1393306234017997

> <JCHEM_POLAR_SURFACE_AREA>
32.59

> <JCHEM_REFRACTIVITY>
70.49150000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.83e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetylaminofluorene

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Acetylaminofluorene

> <CAS>
53-96-3

> <SYNONYMS>
Acetamide, N-9H-fluoren-2-yl-

$$$$