Molecule

ID:112084

General Information
Structure
MolImage
Molecular Formula
C₆HCl₄NO₂
Molecular Mass
260.88964
Exact Mass
258.876139
Charge
0
InChI
InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey
MTBYTWZDRVOMBR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl
Isomeric Smiles
[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3294086
LogD (pH = 7.4)
4.3294086
Log P
4.3294086
Molar Refractivity
52.6019
Polarizability
20.204704
Polar Surface Area
45.82
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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