Molecule

ID:12201

General Information
Structure
Molecular Formula
C₄H₆Cl₂N₂
Molecular Mass
153.00984
Exact Mass
151.99080356
Charge
0
InChI
InChI=1S/C4H5ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-2H,3H2,(H,6,7);1H
InChIKey
OYBZNZWJLAXIJL-UHFFFAOYSA-N
Canonic Smiles
ClCc1ncc[nH]1.Cl
Isomeric Smiles
c1nc([nH]c1)CCl.Cl
Calculated Properties
JChem
Acid pKa
12.606325
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.11489594
LogD (pH = 7.4)
0.49049383
Log P
0.51518434
Molar Refractivity
28.2067
Polarizability
10.847562
Polar Surface Area
28.68
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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