Molecule

ID:18707

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O
Molecular Mass
166.6491
Exact Mass
166.08729079
Charge
0
InChI
InChI=1S/C6H14N2O.ClH/c1-6(2,3)8-5(9)4-7;/h4,7H2,1-3H3,(H,8,9);1H
InChIKey
WMOBCDULVRSMQL-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC(C)(C)C.Cl
Isomeric Smiles
C(=O)(NC(C)(C)C)CN.Cl
Calculated Properties
JChem
Acid pKa
15.981467
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1694205
LogD (pH = 7.4)
-1.4861834
Log P
-0.6767824
Molar Refractivity
36.5279
Polarizability
14.517068
Polar Surface Area
55.12
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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