Molecule

ID:33459

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₄O₂
Molecular Mass
206.63014
Exact Mass
206.05705329
Charge
0
InChI
InChI=1S/C6H10N4O2.ClH/c1-10(2)6(11)5-8-4(3-7)9-12-5;/h3,7H2,1-2H3;1H
InChIKey
KAFKGNPLKLJVQC-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)C(=O)N(C)C.Cl
Isomeric Smiles
c1(nc(no1)CN)C(=O)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5940762
LogD (pH = 7.4)
-1.1488535
Log P
-0.9606219
Molar Refractivity
43.0072
Polarizability
15.473434
Polar Surface Area
85.25
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
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Molecule Details
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References
Bioactivity
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