2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide

Formula:C15H12N3O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide is a drug-like molecule.

MolName2-[4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetamide
MolecularFormulaC15H12N3O3F3
SmilesNC(COc1ccc(/C=C/C(C=C(C(F)(F)F)N2)=NC2=O)cc1)=O
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)12-7-10(20-14(23)21-12)4-1-9-2-5-11(6-3-9)24-8-13(19)22/h1-7H,8H2,(H2,19,22)(H,20,21,23)
InChIKRTEMLXYXULTJBC-UHFFFAOYSA-N
TotalMolweight339.272
Molweight339.272
MonoisotopicMass339.083076
CLogP1.4884
CLogS-4.168
H Acceptors6
H Donors2
TotalSurfaceArea242.64
Relative PSA0.3063
PolarSurfaceArea93.78
Druglikeness-4.8423
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms3
Symmetricatoms4
Amides2
BasicNitrogens1
StereoCon

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