Mrv0541 05061311472D          

 23 26  0  0  0  0            999 V2000
    1.8799    0.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821    0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9086    2.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1786    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3178    2.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0477    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980    3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279    2.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984    2.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    2.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583    2.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    1.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984    0.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4782    4.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8284    3.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0182    1.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3980    1.0264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  2  0  0  0  0
  9  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18  1  1  0  0  0  0
 18  2  1  0  0  0  0
 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  2  0  0  0  0
 22 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 15  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM033568

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)OC2=C3OC4=C(C=CC=C4O)C(=O)C3=C(O)C=C2C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H14O5/c1-18(2)7-6-9-8-12(20)13-14(21)10-4-3-5-11(19)16(10)22-17(13)15(9)23-18/h3-8,19-20H,1-2H3

> <INCHI_KEY>
FPDAJKRMMGCXCC-UHFFFAOYSA-N

> <FORMULA>
C18H14O5

> <MOLECULAR_WEIGHT>
310.3008

> <EXACT_MASS>
310.084123558

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
31.720375606710938

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6,11-dihydroxy-2,2-dimethyl-2,7-dihydro-1,12-dioxatetraphen-7-one

> <ALOGPS_LOGP>
3.87

> <JCHEM_LOGP>
3.9031329789999987

> <ALOGPS_LOGS>
-3.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.001657220833627

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.854090920436313

> <JCHEM_PKA_STRONGEST_BASIC>
-4.412375358375045

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
85.1715

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.85e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6,11-dihydroxy-2,2-dimethyl-1,12-dioxatetraphen-7-one

> <JCHEM_VEBER_RULE>
0

> <NAME>
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one

> <CAS>
136364-53-9

$$$$