Molecule

ID:19718

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆F₃NO₃
Molecular Mass
279.2555496
Exact Mass
279.10822804
Charge
0
InChI
InChI=1S/C12H16F3NO3/c1-17-4-5-18-6-7-19-11-3-2-9(8-10(11)16)12(13,14)15/h2-3,8H,4-7,16H2,1H3
InChIKey
UMJDUNSHRDAKIU-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCCOCCOC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7678143
LogD (pH = 7.4)
1.7705115
Log P
1.7705461
Molar Refractivity
65.2823
Polarizability
23.97411
Polar Surface Area
53.71
Rotatable Bonds
8
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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