Molecule

ID:130748

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N₃
Molecular Mass
198.09352
Exact Mass
197.04865279
Charge
0
InChI
InChI=1S/C6H11N3.2ClH/c1-9-5-8-4-6(9)2-3-7;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKey
KWEIZIDNCJBKIY-UHFFFAOYSA-N
Canonic Smiles
NCCc1cncn1C.Cl.Cl
Isomeric Smiles
Cn1cncc1CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.3692837
LogD (pH = 7.4)
-3.1986625
Log P
-0.81581885
Molar Refractivity
37.1258
Polarizability
14.031067
Polar Surface Area
43.84
Rotatable Bonds
2
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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