Molecule

ID:37608

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₃
Molecular Mass
216.23258
Exact Mass
216.07864424
Charge
0
InChI
InChI=1S/C13H12O3/c1-9-2-4-10(5-3-9)8-11-6-7-12(16-11)13(14)15/h2-7H,8H2,1H3,(H,14,15)
InChIKey
ZKUZBZHMUKAZDY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Cc1ccc(o1)C(=O)O
Isomeric Smiles
c1(oc(cc1)Cc1ccc(cc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.150438
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.73667616
LogD (pH = 7.4)
-0.3933765
Log P
3.0603845
Molar Refractivity
60.515
Polarizability
22.652021
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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