Molecule

ID:40256

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)10-9(7-16)11(13)15(14-10)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
WGZINYPKRLIJGI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c(c1C=O)Cl)c1ccccc1
Isomeric Smiles
c1(c(c(n(n1)c1ccccc1)Cl)C=O)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2799492
LogD (pH = 7.4)
2.2799492
Log P
2.2799492
Molar Refractivity
67.4629
Polarizability
25.711323
Polar Surface Area
61.19
Rotatable Bonds
4
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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