Molecule

ID:55649

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N₃
Molecular Mass
198.09352
Exact Mass
197.04865279
Charge
0
InChI
InChI=1S/C6H11N3.2ClH/c1-9-5-4-8-6(9)2-3-7;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKey
AORWLCSFCSKSKK-UHFFFAOYSA-N
Canonic Smiles
NCCc1nccn1C.Cl.Cl
Isomeric Smiles
c1(n(ccn1)C)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.2791142
LogD (pH = 7.4)
-2.743007
Log P
-0.48560053
Molar Refractivity
36.4093
Polarizability
14.031616
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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