Molecule

ID:46317

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClFNO
Molecular Mass
211.7046632
Exact Mass
211.11392013
Charge
0
InChI
InChI=1S/C9H18FNO.ClH/c10-5-8-12-7-4-9-3-1-2-6-11-9;/h9,11H,1-8H2;1H
InChIKey
XNMGGXWPIJPDCR-UHFFFAOYSA-N
Canonic Smiles
FCCOCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCCF)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3003364
LogD (pH = 7.4)
-1.8433932
Log P
0.9312287
Molar Refractivity
47.0147
Polarizability
18.496511
Polar Surface Area
21.26
Rotatable Bonds
5
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