Molecule

ID:28390

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClN₂O
Molecular Mass
150.60664
Exact Mass
150.05599066
Charge
0
InChI
InChI=1S/C5H10N2O.ClH/c6-3-4-1-2-5(8)7-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKey
UJBDBOYWHDPFLK-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(=O)N1.Cl
Isomeric Smiles
N1C(=O)CCC1CN.Cl
Calculated Properties
JChem
Acid pKa
14.683892
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2624836
LogD (pH = 7.4)
-3.084241
Log P
-1.316826
Molar Refractivity
29.8779
Polarizability
11.95924
Polar Surface Area
55.12
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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