Molecule

ID:90740

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN₃
Molecular Mass
161.63258
Exact Mass
161.07197508
Charge
0
InChI
InChI=1S/C6H11N3.ClH/c1-3-9-4-6(7)5(2)8-9;/h4H,3,7H2,1-2H3;1H
InChIKey
LBWIPMKVKGUOMW-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(c(n1)C)N.Cl
Isomeric Smiles
n1c(c(cn1CC)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.059926692
LogD (pH = 7.4)
0.06035261
Log P
0.060358044
Molar Refractivity
49.0019
Polarizability
13.637125
Polar Surface Area
43.84
Rotatable Bonds
1
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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