Molecule

ID:81074

General Information
Structure
Molecular Formula
C₁₃H₉Cl₂NO
Molecular Mass
266.12266
Exact Mass
265.00611927
Charge
0
InChI
InChI=1S/C13H9Cl2NO/c14-11-7-6-10(13(15)8-11)9-16(17)12-4-2-1-3-5-12/h1-9H
InChIKey
HUEMILSYRIWOAB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)/C=[N+](/c1ccccc1)\[O-]
Isomeric Smiles
[N+](=C\c1c(cc(cc1)Cl)Cl)(/c1ccccc1)\[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4712987
LogD (pH = 7.4)
4.471373
Log P
4.471374
Molar Refractivity
80.8408
Polarizability
26.762432
Polar Surface Area
28.75
Rotatable Bonds
2
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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