Molecule

ID:46316

General Information
Structure
Molecular Formula
C₉H₁₉ClFNO
Molecular Mass
211.7046632
Exact Mass
211.11392013
Charge
0
InChI
InChI=1S/C9H18FNO.ClH/c10-4-7-12-6-3-9-2-1-5-11-8-9;/h9,11H,1-8H2;1H
InChIKey
HTSSSARHSSFXAD-UHFFFAOYSA-N
Canonic Smiles
FCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCF)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3598557
LogD (pH = 7.4)
-1.9838127
Log P
0.8744668
Molar Refractivity
47.1881
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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