Molecule

ID:15345

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClFNO
Molecular Mass
245.7208832
Exact Mass
245.09827007
Charge
0
InChI
InChI=1S/C12H16FNO.ClH/c13-11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10;/h1-4,10,14H,5-9H2;1H
InChIKey
DNWBPFYWQAZTII-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2ccc(F)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1687855
LogD (pH = 7.4)
-0.70801467
Log P
2.0626354
Molar Refractivity
57.712
Polarizability
22.503424
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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