Molecule

ID:21173

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9;/h1-4,9,13H,5-8H2;1H
InChIKey
UEBKSMRVBVBGRV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2ccc(F)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5799496
LogD (pH = 7.4)
-1.4213398
Log P
1.6596235
Molar Refractivity
53.0122
Polarizability
20.665344
Polar Surface Area
21.26
Rotatable Bonds
3
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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