Molecule

ID:2977

General Information
Structure
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Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
InChIKey
DXDRHHKMWQZJHT-FPYGCLRLSA-N
Canonic Smiles
Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O
Isomeric Smiles
Oc1ccc(cc1)/C=C/C(=O)c1ccc(O)cc1O
Calculated Properties
JChem
LogD (pH = 7.4)
3.15
LogD (pH = 5.5)
3.62
Log P
3.63
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.11
Polar Surface Area
77.76
Polarizability
26.65
Molar Refractivity
72.82
LOG S
-3.10
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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