Molecule

ID:27097

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃O₂
Molecular Mass
195.99152
Exact Mass
194.96023171
Charge
0
InChI
InChI=1S/C4H3Cl2N3O2/c5-2-8-1-3(6)4(7-8)9(10)11/h1H,2H2
InChIKey
KCVFPHOUWYFOGD-UHFFFAOYSA-N
Canonic Smiles
ClCn1cc(c(n1)[N+](=O)[O-])Cl
Isomeric Smiles
c1(c(cn(n1)CCl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1533492
LogD (pH = 7.4)
2.1533492
Log P
2.1533492
Molar Refractivity
52.0438
Polarizability
14.9928665
Polar Surface Area
63.64
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
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Molecule Details
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References
Bioactivity
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