Molecule

ID:80978

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₂O
Molecular Mass
267.11072
Exact Mass
266.00136825
Charge
0
InChI
InChI=1S/C12H8Cl2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H
InChIKey
NMAZIJPSESMWSA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/N=[N+](/c1ccc(cc1)Cl)\[O-]
Isomeric Smiles
[N+](=N\c1ccc(cc1)Cl)(/c1ccc(cc1)Cl)\[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.118232
LogD (pH = 7.4)
4.118232
Log P
4.118232
Molar Refractivity
70.7337
Polarizability
25.808804
Polar Surface Area
41.11
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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