Molecule

ID:89201

General Information
Structure
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKey
VLMNACSEESRUAK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(oc1C)c1ccccc1
Isomeric Smiles
o1c(cc(c1C)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.1271687
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1500216
LogD (pH = 7.4)
-0.5438021
Log P
2.537862
Molar Refractivity
55.991
Polarizability
22.23656
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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