Molecule

ID:67153

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O₂
Molecular Mass
192.98758
Exact Mass
191.94933267
Charge
0
InChI
InChI=1S/C5H2Cl2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
InChIKey
RZVJQUMDJUUBBF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc(cc1Cl)Cl
Isomeric Smiles
c1(cc(c(cn1)[N+](=O)[O-])Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1238241
LogD (pH = 7.4)
2.1238241
Log P
2.1238241
Molar Refractivity
40.8925
Polarizability
15.4066305
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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