Molecule

ID:40667

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂N₂O
Molecular Mass
176.98818
Exact Mass
175.95441805
Charge
0
InChI
InChI=1S/C5H2Cl2N2O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H
InChIKey
XQSJHQXYQAUDFC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)ncnc1Cl
Isomeric Smiles
c1(c(ncnc1Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4106815
LogD (pH = 7.4)
1.4106815
Log P
1.4106815
Molar Refractivity
41.0385
Polarizability
14.535704
Polar Surface Area
42.85
Rotatable Bonds
1
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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