Molecule

ID:91666

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
OAMJQKDGQYAQKD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ccc(cc1)C(=O)O
Isomeric Smiles
O(c1cc(ccc1)c1ccc(cc1)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.0629706
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6712564
LogD (pH = 7.4)
-0.0014627912
Log P
3.1203828
Molar Refractivity
64.9136
Polarizability
26.127277
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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