Molecule
ID:118678
General Information
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-11(13)9-5-6-14-10-4-2-1-3-8(10)7-9/h1-7H,(H,12,13)
InChIKey
YUXCMLDLILCXJV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1=Cc2ccccc2OC=C1
Isomeric Smiles
C1(=Cc2c(OC=C1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8066108
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21660085
LogD (pH = 7.4)
-1.3469225
Log P
1.9124117
Molar Refractivity
52.2417
Polarizability
19.583097
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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