Molecule

ID:85589

General Information
Structure
MolImage
Molecular Formula
C₆HCl₃N₂O₄
Molecular Mass
271.44214
Exact Mass
269.90018956
Charge
0
InChI
InChI=1S/C6HCl3N2O4/c7-2-1-3(8)6(11(14)15)4(9)5(2)10(12)13/h1H
InChIKey
BPMOJGOPWSCNHJ-UHFFFAOYSA-N
Canonic Smiles
Clc1c([N+](=O)[O-])c(Cl)cc(c1[N+](=O)[O-])Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1Cl)Cl)[N+](=O)[O-])Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6653483
LogD (pH = 7.4)
3.6653483
Log P
3.6653483
Molar Refractivity
55.1218
Polarizability
20.35735
Polar Surface Area
91.64
Rotatable Bonds
2
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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