Mrv1572004221603082D          

 21 23  0  0  0  0            999 V2000
    6.1264    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2585    0.3140    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
    0.1624   -0.2006    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
    0.9694   -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
    3.4084    1.1971    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
    5.3194    0.1425    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
    3.9604    0.5840    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
    4.7674    0.7556    0.0000 N   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
    5.0645   -0.6422    0.0000 O   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
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  2  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  2  0  0  0  0
 18 14  1  4  0  0  0
 19 11  2  0  0  0  0
 19 15  1  4  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016446

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)

> <INCHI_KEY>
XBZBRCVCSVLJJZ-UHFFFAOYSA-N

> <FORMULA>
C17H16N2O2

> <MOLECULAR_WEIGHT>
280.327

> <EXACT_MASS>
280.121177763

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
31.758020423316594

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{7-[(1-hydroxyethylidene)amino]-9H-fluoren-2-yl}ethanimidic acid

> <ALOGPS_LOGP>
2.79

> <JCHEM_LOGP>
3.6693534643333328

> <ALOGPS_LOGS>
-4.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.11599986723162

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.381041095801612

> <JCHEM_PKA_STRONGEST_BASIC>
1.4400614869745598

> <JCHEM_POLAR_SURFACE_AREA>
65.18

> <JCHEM_REFRACTIVITY>
86.10960000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{7-[(1-hydroxyethylidene)amino]-9H-fluoren-2-yl}ethanimidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,7-Acetylaminofluorene

> <CAS>
304-28-9

> <SYNONYMS>
N-(7-acetamido-9H-fluoren-2-yl)acetamide

$$$$