Molecule
ID:11407
General Information
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)
InChIKey
DEBZQUFVQZPPLC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=Cc2c(OC1)cccc2
Isomeric Smiles
C1(=Cc2c(OC1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7934678
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.09673345
LogD (pH = 7.4)
-1.6535988
Log P
1.6117713
Molar Refractivity
47.3936
Polarizability
17.993652
Polar Surface Area
46.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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Molecule Details
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References
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Bioactivity
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