Molecule

ID:76372

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-10-6-2-4-8-12(10)17-13-9-5-3-7-11(13)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
JMFDKESIMZREMY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Oc1ccccc1C
Isomeric Smiles
OC(=O)c1c(cccc1)Oc1ccccc1C
Calculated Properties
JChem
Acid pKa
3.5981143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7473605
LogD (pH = 7.4)
0.30084065
Log P
3.6445372
Molar Refractivity
64.5962
Polarizability
24.743319
Polar Surface Area
46.53
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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