Molecule

ID:55416

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₄O
Molecular Mass
190.63074
Exact Mass
190.06213867
Charge
0
InChI
InChI=1S/C6H10N4O.ClH/c1-8-6(11)4-10-3-5(7)2-9-10;/h2-3H,4,7H2,1H3,(H,8,11);1H
InChIKey
VQHYDZIVSHAKSG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Cn1cc(cn1)N.Cl
Isomeric Smiles
c1c(cnn1CC(=O)NC)N.Cl
Calculated Properties
JChem
Acid pKa
15.165771
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5331359
LogD (pH = 7.4)
-1.5331037
Log P
-1.5331033
Molar Refractivity
52.4653
Polarizability
15.058383
Polar Surface Area
72.94
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
References
Bioactivity
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