Molecule

ID:91755

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey
YZDIEQFFXQUBRM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.1402643
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.43852353
LogD (pH = 7.4)
-0.68364924
Log P
2.7717233
Molar Refractivity
55.76
Polarizability
22.239496
Polar Surface Area
50.44
Rotatable Bonds
2
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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