Molecule

ID:40417

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClN₂O₃
Molecular Mass
264.66446
Exact Mass
264.03016984
Charge
0
InChI
InChI=1S/C12H9ClN2O3/c1-18-12(17)11-9(13)7-10(16)15(14-11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
VEUGMLSNBLYLDK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c2ccccc2)c(=O)cc1Cl
Isomeric Smiles
n1c(c(cc(=O)n1c1ccccc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5843441
LogD (pH = 7.4)
2.5843441
Log P
2.5843441
Molar Refractivity
66.467
Polarizability
25.009974
Polar Surface Area
58.97
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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