Molecule

ID:45564

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-6(9)10-5-7-2-3-8-4-7;/h7-8H,2-5H2,1H3;1H
InChIKey
GKVGCJRDFUZEDO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6165795
LogD (pH = 7.4)
-3.5097792
Log P
-0.37610465
Molar Refractivity
37.6874
Polarizability
15.197755
Polar Surface Area
38.33
Rotatable Bonds
3
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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