Molecule

ID:21583

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₂
Molecular Mass
198.2173
Exact Mass
198.06807956
Charge
0
InChI
InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+
InChIKey
WPXMLUUYWNHQOR-CMDGGOBGSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc2c1cccc2
Isomeric Smiles
C(=C\C(=O)O)/c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
4.718775
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2786036
LogD (pH = 7.4)
0.5010341
Log P
3.125563
Molar Refractivity
59.5101
Polarizability
23.746563
Polar Surface Area
37.3
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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