Molecule

ID:48842

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O
Molecular Mass
166.6491
Exact Mass
166.08729079
Charge
0
InChI
InChI=1S/C6H14N2O.ClH/c1-6(2,7)5(9)8(3)4;/h7H2,1-4H3;1H
InChIKey
ZNYGVGBPEWMCFN-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(N)(C)C)C.Cl
Isomeric Smiles
C(=O)(C(N)(C)C)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.286367
LogD (pH = 7.4)
-1.7592304
Log P
-0.5055359
Molar Refractivity
36.8262
Polarizability
14.517068
Polar Surface Area
46.33
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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