Molecule

ID:15331

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKey
WRTHTGNXSSACJM-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)OC1CCNCC1.Cl
Isomeric Smiles
c1c(cc(cc1)OC1CCNCC1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6053641
LogD (pH = 7.4)
-0.76104546
Log P
1.6020347
Molar Refractivity
52.894
Polarizability
20.665356
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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