Molecule

ID:55182

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂Cl₃N₃
Molecular Mass
232.53858
Exact Mass
231.00968044
Charge
0
InChI
InChI=1S/C6H10ClN3.2ClH/c7-6-4-9-10(5-6)3-1-2-8;;/h4-5H,1-3,8H2;2*1H
InChIKey
BWKKPBPJQZCNJS-UHFFFAOYSA-N
Canonic Smiles
NCCCn1ncc(c1)Cl.Cl.Cl
Isomeric Smiles
n1(cc(cn1)Cl)CCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.75776
LogD (pH = 7.4)
-2.396768
Log P
0.2681265
Molar Refractivity
52.5814
Polarizability
16.025446
Polar Surface Area
43.84
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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