Molecule

ID:91754

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-8-3-2-4-9(7-8)10-5-6-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
NQJYIMVBENPXIB-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
3.1394637
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43777728
LogD (pH = 7.4)
-0.6837747
Log P
2.7717233
Molar Refractivity
55.76
Polarizability
22.240458
Polar Surface Area
50.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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