Molecule

ID:24558

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClN₄
Molecular Mass
162.62064
Exact Mass
162.06722405
Charge
0
InChI
InChI=1S/C5H10N4.ClH/c1-4-7-5(2-3-6)9-8-4;/h2-3,6H2,1H3,(H,7,8,9);1H
InChIKey
MAGNRAASPCGGQV-UHFFFAOYSA-N
Canonic Smiles
Cc1nc([nH]n1)CCN.Cl
Isomeric Smiles
n1c([nH]nc1C)CCN.Cl
Calculated Properties
JChem
Acid pKa
12.231562
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4886582
LogD (pH = 7.4)
-2.3154163
Log P
-0.36114034
Molar Refractivity
36.0437
Polarizability
13.157905
Polar Surface Area
67.59
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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