Molecule

ID:20282

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO
Molecular Mass
281.2729696
Exact Mass
281.10274873
Charge
0
InChI
InChI=1S/C15H14F3NO/c1-9-4-3-5-14(10(9)2)20-11-6-7-13(19)12(8-11)15(16,17)18/h3-8H,19H2,1-2H3
InChIKey
GXIXHZSGVDXZBZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C(F)(F)F)Oc1cccc(c1C)C
Isomeric Smiles
c1(C(F)(F)F)c(ccc(Oc2c(c(ccc2)C)C)c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5488963
LogD (pH = 7.4)
4.549293
Log P
4.5492983
Molar Refractivity
73.0553
Polarizability
26.335793
Polar Surface Area
35.25
Rotatable Bonds
3
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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