Molecule

ID:55527

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-10-7(9)6-4-2-3-5-8-6;/h6,8H,2-5H2,1H3;1H
InChIKey
APCHKWZTSCBBJX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCCCN1.Cl
Isomeric Smiles
C(=O)(C1NCCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5704855
LogD (pH = 7.4)
0.4386968
Log P
0.4933213
Molar Refractivity
37.4344
Polarizability
15.197755
Polar Surface Area
38.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation