Molecule

ID:9443

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c15-14(16)10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey
VARVNFDGRLLTCI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1c(ccc(Oc2ccccc2)c1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7596471
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.370104
LogD (pH = 7.4)
-0.16916896
Log P
3.1112814
Molar Refractivity
63.6064
Polarizability
24.843052
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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