Molecule

ID:55858

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN₃O₂
Molecular Mass
193.63138
Exact Mass
193.06180432
Charge
0
InChI
InChI=1S/C6H11N3O2.ClH/c1-10-4-5-8-6(2-3-7)11-9-5;/h2-4,7H2,1H3;1H
InChIKey
LTYAJZZSSYHXKK-UHFFFAOYSA-N
Canonic Smiles
COCc1noc(n1)CCN.Cl
Isomeric Smiles
COCc1nc(on1)CCN.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.5157087
LogD (pH = 7.4)
-2.1899583
Log P
-0.43464297
Molar Refractivity
40.2517
Polarizability
15.020669
Polar Surface Area
74.17
Rotatable Bonds
4
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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