Molecule

ID:73804

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₄
Molecular Mass
158.58888
Exact Mass
158.03592392
Charge
0
InChI
InChI=1S/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10)
InChIKey
KSGKEVCHVYUUDN-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)c(c(n1)N)N
Isomeric Smiles
n1c(nc(c(c1N)N)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.020914955
LogD (pH = 7.4)
0.02619386
Log P
0.026261592
Molar Refractivity
42.5267
Polarizability
14.644577
Polar Surface Area
77.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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