Molecule

ID:48715

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN₃O₂
Molecular Mass
193.63138
Exact Mass
193.06180432
Charge
0
InChI
InChI=1S/C6H11N3O2.ClH/c7-3-6(11)9-2-1-8-5(10)4-9;/h1-4,7H2,(H,8,10);1H
InChIKey
GLZKOYZWNQWMSL-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCNC(=O)C1.Cl
Isomeric Smiles
N1(C(=O)CN)CC(=O)NCC1.Cl
Calculated Properties
JChem
Acid pKa
14.139351
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.0388427
LogD (pH = 7.4)
-3.3512564
Log P
-2.7838743
Molar Refractivity
38.4535
Polarizability
15.075755
Polar Surface Area
75.43
Rotatable Bonds
1
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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