Molecule

ID:37141

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c1-2-8-7-3-5-9-6-4-7;/h7-8H,2-6H2,1H3;1H
InChIKey
WHAUERBFDJYWDG-UHFFFAOYSA-N
Canonic Smiles
CCNC1CCOCC1.Cl
Isomeric Smiles
O1CCC(NCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1087854
LogD (pH = 7.4)
-2.7193186
Log P
0.12511557
Molar Refractivity
37.9175
Polarizability
15.112169
Polar Surface Area
21.26
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
暂无数据
点击上传数据
References
Bioactivity
Navigation