Molecule

ID:88387

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c6-3-1-4(7)5(8)9-2-3/h1-2H,7H2,(H2,8,9)
InChIKey
ZRCMCGQDIYNWDX-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)N)N
Isomeric Smiles
n1c(c(cc(c1)Cl)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.107988685
LogD (pH = 7.4)
0.2932138
Log P
0.2962237
Molar Refractivity
38.4202
Polarizability
13.624458
Polar Surface Area
64.93
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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