Molecule

ID:46571

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)12-4-1-5-13(9-12)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,18H,2-3,6-8,10H2;1H
InChIKey
LKOLXKKLEVKLAX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)OCCC1CCCNC1)(F)F.Cl
Isomeric Smiles
C(c1cc(OCCC2CNCCC2)ccc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0080284765
LogD (pH = 7.4)
0.38407856
Log P
3.2423506
Molar Refractivity
68.0703
Polarizability
25.720524
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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