Molecule

ID:65634

General Information
Structure
Molecular Formula
C₁₄H₁₉F₃N₂O₂
Molecular Mass
304.3080696
Exact Mass
304.13986252
Charge
0
InChI
InChI=1S/C14H19F3N2O2/c1-13(2,3)12(21)19-11-9(5-4-6-20)7-10(8-18-11)14(15,16)17/h7-8,20H,4-6H2,1-3H3,(H,18,19,21)
InChIKey
MWXUREANVNEDGX-UHFFFAOYSA-N
Canonic Smiles
OCCCc1cc(cnc1NC(=O)C(C)(C)C)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)CCCO)NC(=O)C(C)(C)C)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.009632
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2277746
LogD (pH = 7.4)
3.2309551
Log P
3.2310064
Molar Refractivity
74.9256
Polarizability
27.083399
Polar Surface Area
62.22
Rotatable Bonds
6
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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