Molecule

ID:91027

General Information
Structure
MolImage
Molecular Formula
C₅H₉Cl₂N₃
Molecular Mass
182.05106
Exact Mass
181.01735266
Charge
0
InChI
InChI=1S/C5H7N3.2ClH/c6-4-1-2-5(7)8-3-4;;/h1-3H,6H2,(H2,7,8);2*1H
InChIKey
RWHNUWWUPZKDQP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)N.Cl.Cl
Isomeric Smiles
n1c(ccc(c1)N)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.622257
LogD (pH = 7.4)
-0.5384482
Log P
-0.30782098
Molar Refractivity
33.6154
Polarizability
11.708321
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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