Molecule

ID:20293

General Information
Structure
Molecular Formula
C₁₄H₁₂F₃NO₂
Molecular Mass
283.2457896
Exact Mass
283.08201329
Charge
0
InChI
InChI=1S/C14H12F3NO2/c1-19-9-3-2-4-10(7-9)20-11-5-6-13(18)12(8-11)14(15,16)17/h2-8H,18H2,1H3
InChIKey
VUPJYAKNRKKHKI-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(OC)ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.364502
LogD (pH = 7.4)
3.3647807
Log P
3.3647842
Molar Refractivity
69.4361
Polarizability
25.398544
Polar Surface Area
44.48
Rotatable Bonds
4
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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