Molecule

ID:54055

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O
Molecular Mass
188.99888
Exact Mass
187.95441805
Charge
0
InChI
InChI=1S/C6H2Cl2N2O/c7-5-1-4(9-3-11)2-6(8)10-5/h1-2H
InChIKey
OCDFIQXUCLQQHY-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cc(Cl)nc(c1)Cl
Isomeric Smiles
c1c(nc(cc1N=C=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3135726
LogD (pH = 7.4)
2.3135726
Log P
2.3135726
Molar Refractivity
44.7053
Polarizability
15.78971
Polar Surface Area
42.32
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
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References
Bioactivity
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