Molecule
ID:120810
General Information
Molecular Formula
C₄H₈ClN₃
Molecular Mass
133.57942
Exact Mass
133.04067495
Charge
0
InChI
InChI=1S/C4H7N3.ClH/c1-3-2-4(5)7-6-3;/h2H,1H3,(H3,5,6,7);1H
InChIKey
WBRONLDVOFJRAT-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(c1)N.Cl
Isomeric Smiles
n1[nH]c(cc1C)N.Cl
Calculated Properties
JChem
Acid pKa
14.775016
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3716148
LogD (pH = 7.4)
-0.33137295
Log P
-0.33083495
Molar Refractivity
28.2906
Polarizability
10.041172
Polar Surface Area
54.7
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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