Molecule

ID:21150

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO
Molecular Mass
179.68762
Exact Mass
179.10769188
Charge
0
InChI
InChI=1S/C8H17NO.ClH/c1-10-7-4-8-2-5-9-6-3-8;/h8-9H,2-7H2,1H3;1H
InChIKey
LMGSBYGUGOVCNH-UHFFFAOYSA-N
Canonic Smiles
COCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6360624
LogD (pH = 7.4)
-2.1796725
Log P
0.5955233
Molar Refractivity
42.6649
Polarizability
16.955612
Polar Surface Area
21.26
Rotatable Bonds
3
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