Molecule

ID:86006

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂N₂O₂
Molecular Mass
295.12082
Exact Mass
293.99628287
Charge
0
InChI
InChI=1S/C13H8Cl2N2O2/c14-11-6-2-1-4-9(11)8-17-19-13(18)10-5-3-7-16-12(10)15/h1-8H
InChIKey
SEHSCFZLRPRUMR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1/C=N/OC(=O)c1cccnc1Cl
Isomeric Smiles
N(=C\c1c(cccc1)Cl)/OC(=O)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.102887
LogD (pH = 7.4)
4.1028895
Log P
4.1028895
Molar Refractivity
74.7997
Polarizability
28.051853
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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