Molecule

ID:33068

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClN₂O
Molecular Mass
162.61734
Exact Mass
162.05599066
Charge
0
InChI
InChI=1S/C6H10N2O.ClH/c1-4-6(3-7)5(2)9-8-4;/h3,7H2,1-2H3;1H
InChIKey
WDDUIFIYJWSIOY-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)noc1C.Cl
Isomeric Smiles
c1(c(onc1C)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9137564
LogD (pH = 7.4)
-1.3206989
Log P
-0.20550886
Molar Refractivity
35.7146
Polarizability
13.209991
Polar Surface Area
52.05
Rotatable Bonds
1
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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