Molecule

ID:67202

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H13NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h2-6H2,1H3;1H
InChIKey
BHSJZGRGJYULPA-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(=O)CC1.Cl
Isomeric Smiles
N1(CCC(=O)CCC1)C.Cl
Calculated Properties
JChem
Acid pKa
18.210371
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.7237232
LogD (pH = 7.4)
-0.017156513
Log P
0.461794
Molar Refractivity
37.2185
Polarizability
14.49175
Polar Surface Area
20.31
Rotatable Bonds
0
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
暂无数据
点击上传数据
References
Bioactivity
Navigation