Molecule

ID:68212

General Information
Structure
MolImage
Molecular Formula
C₄H₄ClN₃
Molecular Mass
129.54766
Exact Mass
129.00937482
Charge
0
InChI
InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
InChIKey
LHGMCUVJFRBVBH-UHFFFAOYSA-N
Canonic Smiles
Nc1cncnc1Cl
Isomeric Smiles
c1nc(c(cn1)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.044983625
LogD (pH = 7.4)
0.045030754
Log P
0.045031354
Molar Refractivity
33.2888
Polarizability
11.688247
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
No Data Available
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Molecule Details
References
Bioactivity
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