Molecule

ID:20731

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆F₃NO₂
Molecular Mass
275.2668496
Exact Mass
275.11331342
Charge
0
InChI
InChI=1S/C13H16F3NO2/c14-13(15,16)19-12-5-3-11(4-6-12)18-9-10-2-1-7-17-8-10/h3-6,10,17H,1-2,7-9H2
InChIKey
XHKVFZOTDRJDNB-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)OCC1CCCNC1)(F)F
Isomeric Smiles
C(Oc1ccc(OCC2CNCCC2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.17071459
LogD (pH = 7.4)
0.8283018
Log P
3.3926017
Molar Refractivity
60.4671
Polarizability
24.665321
Polar Surface Area
30.49
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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