Molecule

ID:84506

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂N₂O₂
Molecular Mass
295.12082
Exact Mass
293.99628287
Charge
0
InChI
InChI=1S/C13H8Cl2N2O2/c14-11-6-9(7-12(15)17-11)8-16-19-13(18)10-4-2-1-3-5-10/h1-8H
InChIKey
YFCFHXCAFCBTLM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(/C=N/OC(=O)c2ccccc2)cc(n1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/OC(=O)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.323064
LogD (pH = 7.4)
4.3230667
Log P
4.3230667
Molar Refractivity
75.861
Polarizability
28.088243
Polar Surface Area
51.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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