Molecule

ID:20879

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
InChIKey
OXORTCLBZJUWHX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(F)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1092206
LogD (pH = 7.4)
0.0076976824
Log P
2.0594375
Molar Refractivity
52.6732
Polarizability
20.665127
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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