Molecule

ID:24975

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N₃
Molecular Mass
198.09352
Exact Mass
197.04865279
Charge
0
InChI
InChI=1S/C6H11N3.2ClH/c7-3-1-5-9-6-2-4-8-9;;/h2,4,6H,1,3,5,7H2;2*1H
InChIKey
ZILPEDSNQGVPCW-UHFFFAOYSA-N
Canonic Smiles
NCCCn1cccn1.Cl.Cl
Isomeric Smiles
n1n(ccc1)CCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.361925
LogD (pH = 7.4)
-3.0008144
Log P
-0.3359182
Molar Refractivity
47.7766
Polarizability
14.104057
Polar Surface Area
43.84
Rotatable Bonds
3
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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