Mrv0541 02241215582D          

 19 21  0  0  0  0            999 V2000
   -2.8586    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154   -0.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126   -0.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4262    0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126    1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8586   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154   -1.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023052

> <DATABASE_NAME>
chemdb

> <SMILES>
COC1=CC2=C(C(O)=C1)C(=O)C1=CC=CC=C1N2C

> <INCHI_IDENTIFIER>
InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3

> <INCHI_KEY>
OCUBFJMZYYIVBO-UHFFFAOYSA-N

> <FORMULA>
C15H13NO3

> <MOLECULAR_WEIGHT>
255.2686

> <EXACT_MASS>
255.089543287

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
26.74770717597406

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
3.311718290999999

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.041327265250542

> <JCHEM_PKA_STRONGEST_BASIC>
-1.42280750574405

> <JCHEM_POLAR_SURFACE_AREA>
49.77000000000001

> <JCHEM_REFRACTIVITY>
72.4025

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-3-methoxy-10-methylacridin-9-one

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Hydroxy-3-methoxy-10-methylacridone

> <CAS>
13161-83-6

$$$$