Molecule

ID:72219

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₃
Molecular Mass
202.206
Exact Mass
202.06299418
Charge
0
InChI
InChI=1S/C12H10O3/c13-12(14)11-7-6-10(15-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKey
OYAHUAHATRUQAN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)Cc1ccccc1
Isomeric Smiles
c1(oc(cc1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1504128
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.22323127
LogD (pH = 7.4)
-0.90680194
Log P
2.546963
Molar Refractivity
55.4738
Polarizability
20.891161
Polar Surface Area
50.44
Rotatable Bonds
3
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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