Molecule

ID:83786

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H
InChIKey
PSYVAIWGYVDYHN-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(/C=C/C(=O)c2ccccc2O)ccc1O
Isomeric Smiles
O=C(c1ccccc1O)/C=C/c1ccc(c(c1)O)O
Calculated Properties
JChem
Acid pKa
8.131386
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
3.6286225
LogD (pH = 7.4)
3.5547843
Log P
3.6296294
Molar Refractivity
72.8197
Polarizability
27.145159
Polar Surface Area
77.76
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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