Molecule

ID:20865

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11;/h1,3-4,7,11,13H,2,5-6,8H2;1H
InChIKey
GRNJGMGYGSKOOM-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2cc(F)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1049839
LogD (pH = 7.4)
0.032383636
Log P
2.0594375
Molar Refractivity
52.6732
Polarizability
20.6653
Polar Surface Area
21.26
Rotatable Bonds
2
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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