Molecule

ID:46443

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClFNO
Molecular Mass
259.7474632
Exact Mass
259.11392013
Charge
0
InChI
InChI=1S/C13H18FNO.ClH/c14-12-3-1-2-4-13(12)16-10-7-11-5-8-15-9-6-11;/h1-4,11,15H,5-10H2;1H
InChIKey
KXGHLCMMYJIGMC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(F)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8023354
LogD (pH = 7.4)
-0.34594542
Log P
2.4292505
Molar Refractivity
62.39
Polarizability
24.34323
Polar Surface Area
21.26
Rotatable Bonds
4
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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