Molecule

ID:70568

General Information
Structure
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKey
ALKYHXVLJMQRLQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2ccccc2cc1O
Isomeric Smiles
c1c(c(cc2ccccc12)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.694
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.23525515
LogD (pH = 7.4)
-0.5347348
Log P
2.9667401
Molar Refractivity
51.7453
Polarizability
20.759932
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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