Molecule

ID:9912

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChIKey
AQSCHALQLXXKKC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(Oc1ccc(cc1)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.3563313
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.025617
LogD (pH = 7.4)
0.2763547
Log P
3.1976306
Molar Refractivity
64.39
Polarizability
24.755573
Polar Surface Area
46.53
Rotatable Bonds
4
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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