4-[(E)-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Formula:C13H6N3O3Cl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(E)-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is a drug-like molecule.

MolName	4-[(E)-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
MolecularFormula	C13H6N3O3Cl2F3
Smiles	[O-][N+](c(cc(/C=C/C(C=C(C(F)(F)F)N1)=NC1=O)c(Cl)c1)c1Cl)=O
InChI	InChI=1S/C13H6Cl2F3N3O3/c14-8-5-9(15)10(21(23)24)3-6(8)1-2-7-4-11(13(16,17)18)20-12(22)19-7/h1-5H,(H,19,20,22)
InChIK	KYBNCRZCEVXGRK-UHFFFAOYSA-N
TotalMolweight	380.109
Molweight	380.109
MonoisotopicMass	378.97383
CLogP	3.0576
CLogS	-6.231
H Acceptors	6
H Donors	1
TotalSurfaceArea	247.12
Relative PSA	0.26882
PolarSurfaceArea	87.28
Druglikeness	-10.471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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