Molecule

ID:91167

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO₃
Molecular Mass
220.00962
Exact Mass
218.94899832
Charge
0
InChI
InChI=1S/C7H3Cl2NO3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H
InChIKey
IWLGXPWQZDOMSB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Cl
Isomeric Smiles
O=C(c1cc(c(cc1)Cl)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7081873
LogD (pH = 7.4)
2.7081873
Log P
2.7081873
Molar Refractivity
49.3022
Polarizability
18.090519
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
No Data Available
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Molecule Details
References
Bioactivity
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