Molecule

ID:48702

General Information
Structure
Molecular Formula
C₆H₁₅ClN₂O
Molecular Mass
166.6491
Exact Mass
166.08729079
Charge
0
InChI
InChI=1S/C6H14N2O.ClH/c1-3-8(4-2)6(9)5-7;/h3-5,7H2,1-2H3;1H
InChIKey
RKWHGMGYRWKDSF-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CN)CC.Cl
Isomeric Smiles
C(=O)(N(CC)CC)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.281386
LogD (pH = 7.4)
-1.5973041
Log P
-0.7934501
Molar Refractivity
37.1162
Polarizability
14.517068
Polar Surface Area
46.33
Rotatable Bonds
3
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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