Molecule

ID:63453

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂O
Molecular Mass
188.99888
Exact Mass
187.95441805
Charge
0
InChI
InChI=1S/C6H2Cl2N2O/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
InChIKey
OTFDNOQBJWBJJM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)cco2
Isomeric Smiles
c1oc2c(nc(Cl)nc2Cl)c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3274813
LogD (pH = 7.4)
2.3274813
Log P
2.3274813
Molar Refractivity
42.5561
Polarizability
16.973797
Polar Surface Area
38.92
Rotatable Bonds
0
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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