Molecule

ID:52076

General Information
Structure
Molecular Formula
C₇H₃Cl₂NO₃
Molecular Mass
220.00962
Exact Mass
218.94899832
Charge
0
InChI
InChI=1S/C7H3Cl2NO3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H
InChIKey
KTHNITVDTYAHFF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
C(=O)(c1c(cc(cc1)[N+](=O)[O-])Cl)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
48.298
Polarizability
18.076584
Polar Surface Area
60.21
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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