Molecule

ID:66499

General Information
Structure
MolImage
Molecular Formula
C₄H₆ClN₃
Molecular Mass
131.56354
Exact Mass
131.02502489
Charge
0
InChI
InChI=1S/C4H5N3.ClH/c5-4-2-1-3-6-7-4;/h1-3H,(H2,5,7);1H
InChIKey
GCRUEXFJNQVIJM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnn1.Cl
Isomeric Smiles
c1(cccnn1)N.Cl
Calculated Properties
JChem
Acid pKa
19.855371
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.49242774
LogD (pH = 7.4)
-0.4591068
Log P
-0.45866498
Molar Refractivity
28.7783
Polarizability
9.69062
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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