Molecule

ID:71795

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃O₂
Molecular Mass
191.6155
Exact Mass
191.04615426
Charge
0
InChI
InChI=1S/C6H9N3O2.ClH/c1-11-6(10)4-9-3-5(7)2-8-9;/h2-3H,4,7H2,1H3;1H
InChIKey
LUOVVLLUZBQJTI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cc(cn1)N.Cl
Isomeric Smiles
n1(cc(cn1)N)CC(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8039745
LogD (pH = 7.4)
-0.8039431
Log P
-0.80394274
Molar Refractivity
50.5155
Polarizability
14.642984
Polar Surface Area
70.14
Rotatable Bonds
3
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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