Molecule

ID:24709

General Information
Structure
MolImage
Molecular Formula
C₅H₉Cl₂N₃
Molecular Mass
182.05106
Exact Mass
181.01735266
Charge
0
InChI
InChI=1S/C5H7N3.2ClH/c6-8-5-2-1-3-7-4-5;;/h1-4,8H,6H2;2*1H
InChIKey
QJFANABRDIUIEI-UHFFFAOYSA-N
Canonic Smiles
NNc1cccnc1.Cl.Cl
Isomeric Smiles
n1cc(NN)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.0054517193
LogD (pH = 7.4)
0.14515205
Log P
0.14721599
Molar Refractivity
33.6078
Polarizability
11.989916
Polar Surface Area
50.94
Rotatable Bonds
1
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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