Molecule

ID:79141

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O₂
Molecular Mass
207.01416
Exact Mass
205.96498274
Charge
0
InChI
InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2
InChIKey
JBXZCPXEYAEMJS-UHFFFAOYSA-N
Canonic Smiles
Clc1cc([N+](=O)[O-])c(cc1N)Cl
Isomeric Smiles
[N+](=O)(c1cc(c(cc1Cl)N)Cl)[O-]
Calculated Properties
JChem
Acid pKa
16.355885
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.292393
LogD (pH = 7.4)
2.2923934
Log P
2.2923934
Molar Refractivity
46.6885
Polarizability
17.316278
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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