Molecule

ID:46379

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClFNO
Molecular Mass
273.7740432
Exact Mass
273.1295702
Charge
0
InChI
InChI=1S/C14H20FNO.ClH/c15-14-3-1-2-13(10-14)11-17-9-6-12-4-7-16-8-5-12;/h1-3,10,12,16H,4-9,11H2;1H
InChIKey
WKVFBSGPBOREKV-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)COCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCc2cc(F)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7688874
LogD (pH = 7.4)
-0.31249756
Log P
2.4626985
Molar Refractivity
67.4939
Polarizability
26.193396
Polar Surface Area
21.26
Rotatable Bonds
5
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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