Molecule

ID:64958

General Information
Structure
MolImage
Molecular Formula
C₅H₇Cl₂N₃
Molecular Mass
180.03518
Exact Mass
179.0017026
Charge
0
InChI
InChI=1S/C5H6ClN3.ClH/c6-5-1-3(7)4(8)2-9-5;/h1-2H,8H2,(H2,7,9);1H
InChIKey
JHQGTQWOFQFEID-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)N)N.Cl
Isomeric Smiles
c1c(ncc(c1N)N)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2554009
LogD (pH = 7.4)
-0.08085171
Log P
-0.07805666
Molar Refractivity
39.168
Polarizability
13.6658945
Polar Surface Area
64.93
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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