Mrv1652303202019022D          

 23 25  0  0  0  0            999 V2000
    0.7954   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9829   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9204   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6829   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329   -2.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8 18  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000750

> <DATABASE_NAME>
CDB

> <SMILES>
COC1=CC2=C(C=C1OC)C1=C(O)C(OC)=C(OC)C=C1CC2

> <INCHI_IDENTIFIER>
InChI=1S/C18H20O5/c1-20-13-7-10-5-6-11-8-15(22-3)18(23-4)17(19)16(11)12(10)9-14(13)21-2/h7-9,19H,5-6H2,1-4H3

> <INCHI_KEY>
WINFXCCVLVWQDW-UHFFFAOYSA-N

> <FORMULA>
C18H20O5

> <MOLECULAR_WEIGHT>
316.353

> <EXACT_MASS>
316.131073744

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
34.33773914049647

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,3,6,7-tetramethoxy-9,10-dihydrophenanthren-4-ol

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
3.2493376696666676

> <ALOGPS_LOGS>
-4.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.793023919022637

> <JCHEM_PKA_STRONGEST_BASIC>
-4.307421463347024

> <JCHEM_POLAR_SURFACE_AREA>
57.150000000000006

> <JCHEM_REFRACTIVITY>
87.3081

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3,6,7-tetramethoxy-9,10-dihydrophenanthren-4-ol

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000750

> <GENERIC_NAME>
4-Hydroxy-2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene

$$$$