Molecule

ID:40311

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄O₄
Molecular Mass
294.30136
Exact Mass
294.08920893
Charge
0
InChI
InChI=1S/C18H14O4/c1-21-14-4-2-3-12(9-14)5-7-18-16(11-19)15-10-13(20)6-8-17(15)22-18/h2-11,20H,1H3/b7-5+
InChIKey
HFDWERRIRXKMKA-FNORWQNLSA-N
Canonic Smiles
O=Cc1c(/C=C/c2cccc(c2)OC)oc2c1cc(O)cc2
Isomeric Smiles
c1(c(oc2c1cc(cc2)O)/C=C/c1cc(OC)ccc1)C=O
Calculated Properties
JChem
Acid pKa
9.000606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6433408
LogD (pH = 7.4)
3.632787
Log P
3.6434772
Molar Refractivity
85.2595
Polarizability
32.91736
Polar Surface Area
59.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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