Molecule

ID:133243

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₂
Molecular Mass
118.56478
Exact Mass
118.02977591
Charge
0
InChI
InChI=1S/C4H6N2.ClH/c1-4-2-5-6-3-4;/h2-3H,1H3,(H,5,6);1H
InChIKey
PUCXJHNDMYZOHG-UHFFFAOYSA-N
Canonic Smiles
Cc1c[nH]nc1.Cl
Isomeric Smiles
Cc1c[nH]nc1.Cl
Calculated Properties
JChem
Acid pKa
15.820059
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7906679
LogD (pH = 7.4)
0.7908489
Log P
0.7908512
Molar Refractivity
24.7866
Polarizability
8.897982
Polar Surface Area
28.68
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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