Molecule

ID:19735

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃NO₂
Molecular Mass
263.2561496
Exact Mass
263.11331342
Charge
0
InChI
InChI=1S/C12H16F3NO2/c1-2-5-17-6-7-18-11-4-3-9(8-10(11)16)12(13,14)15/h3-4,8H,2,5-7,16H2,1H3
InChIKey
NCSPVSRUKMQLBV-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCCOCCC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6936593
LogD (pH = 7.4)
2.6968117
Log P
2.696852
Molar Refractivity
63.5114
Polarizability
23.19998
Polar Surface Area
44.48
Rotatable Bonds
7
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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