Molecule

ID:64035

General Information
Structure
Molecular Formula
C₆H₁₃ClN₂O
Molecular Mass
164.63322
Exact Mass
164.07164073
Charge
0
InChI
InChI=1S/C6H12N2O.ClH/c1-5(9)8(2)6-3-7-4-6;/h6-7H,3-4H2,1-2H3;1H
InChIKey
CLRZDNKDFGOBEF-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C)C1CNC1.Cl
Isomeric Smiles
N1CC(N(C)C(=O)C)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.14306
LogD (pH = 7.4)
-2.7546294
Log P
-1.0590975
Molar Refractivity
34.6849
Polarizability
13.794192
Polar Surface Area
32.34
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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