Molecule

ID:91665

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
JFPVSZXZHHOWMI-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1cccc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cccc(c1)c1cccc(c1)OC
Calculated Properties
JChem
Acid pKa
3.9975448
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6085436
LogD (pH = 7.4)
-0.040093753
Log P
3.1203828
Molar Refractivity
64.9136
Polarizability
26.126575
Polar Surface Area
46.53
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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