Molecule

ID:46445

General Information
Structure
Molecular Formula
C₁₃H₁₉ClFNO
Molecular Mass
259.7474632
Exact Mass
259.11392013
Charge
0
InChI
InChI=1S/C13H18FNO.ClH/c14-12-6-1-2-7-13(12)16-10-8-11-5-3-4-9-15-11;/h1-2,6-7,11,15H,3-5,8-10H2;1H
InChIKey
GGBNRRYOPOBZQN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2c(F)cccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6615687
LogD (pH = 7.4)
-0.06866561
Log P
2.563966
Molar Refractivity
62.1396
Polarizability
24.343227
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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