Molecule

ID:37198

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey
GMOYUTKNPLBTMT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
c1cc(c(cc1)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7105584
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4090244
LogD (pH = 7.4)
-0.10355827
Log P
3.1976306
Molar Refractivity
64.39
Polarizability
24.75836
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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