Molecule

ID:125234

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃NO₂
Molecular Mass
263.2561496
Exact Mass
263.11331342
Charge
0
InChI
InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3
InChIKey
WPGOTSORDNBMHP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(c(cc1CC(N)C)OC)C(F)(F)F
Isomeric Smiles
FC(F)(F)c1cc(OC)c(cc1OC)CC(N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6482769
LogD (pH = 7.4)
-0.02618095
Log P
2.3667564
Molar Refractivity
62.6053
Polarizability
23.463053
Polar Surface Area
44.48
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
References
Bioactivity
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