Molecule

ID:20817

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)19-12-3-1-11(2-4-12)18-9-10-5-7-17-8-6-10/h1-4,10,17H,5-9H2
InChIKey
FVVPVNZUZAPYMN-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)OCC1CCNCC1)(F)F
Isomeric Smiles
C(Oc1ccc(OCC2CCNCC2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1196242
LogD (pH = 7.4)
0.580395
Log P
3.3510451
Molar Refractivity
60.5659
Polarizability
24.665323
Polar Surface Area
30.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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