Molecule

ID:46648

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClF₃NO
Molecular Mass
309.7549696
Exact Mass
309.11072657
Charge
0
InChI
InChI=1S/C14H18F3NO.ClH/c15-14(16,17)11-4-6-13(7-5-11)19-10-8-12-3-1-2-9-18-12;/h4-7,12,18H,1-3,8-10H2;1H
InChIKey
OKSGIJQFHPTZAA-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)OCCC1CCCCN1)(F)F.Cl
Isomeric Smiles
C(c1ccc(cc1)OCCC1NCCCC1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.073577836
LogD (pH = 7.4)
0.66648036
Log P
3.2991126
Molar Refractivity
67.8969
Polarizability
25.72043
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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