Molecule

ID:86213

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₃
Molecular Mass
200.19012
Exact Mass
200.04734412
Charge
0
InChI
InChI=1S/C12H8O3/c13-6-10-7-15-8-11(12(10)14)9-4-2-1-3-5-9/h1-8H
InChIKey
HRXCXWWVCVNVRZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cocc(c1=O)c1ccccc1
Isomeric Smiles
o1cc(c2ccccc2)c(=O)c(c1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6878942
LogD (pH = 7.4)
1.6878942
Log P
1.6878942
Molar Refractivity
55.5365
Polarizability
21.06741
Polar Surface Area
43.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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