Molecule

ID:20208

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO
Molecular Mass
281.2729696
Exact Mass
281.10274873
Charge
0
InChI
InChI=1S/C15H14F3NO/c1-2-10-5-3-4-6-13(10)20-14-8-7-11(19)9-12(14)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
HBTZQNLFDITASZ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1Oc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(Oc2c(CC)cccc2)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.475956
LogD (pH = 7.4)
4.4803886
Log P
4.4804454
Molar Refractivity
72.6151
Polarizability
26.407076
Polar Surface Area
35.25
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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