Molecule

ID:78135

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO₃
Molecular Mass
220.00962
Exact Mass
218.94899832
Charge
0
InChI
InChI=1S/C7H3Cl2NO3/c8-6-1-4(10(12)13)2-7(9)5(6)3-11/h1-3H
InChIKey
FTSIAOWNUAVTHV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
Clc1cc(cc(c1C=O)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8338218
LogD (pH = 7.4)
2.8338218
Log P
2.8338218
Molar Refractivity
49.5763
Polarizability
18.108015
Polar Surface Area
62.89
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
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Molecule Details
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References
Bioactivity
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