5-nitro-6-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-1H-pyrimidine-2,4-dione

Formula:C12H4N3O4F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C12H4N3O4F5
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(c(F)c(c(F)c2F)F)c2F)NC1=O)=O
InChI	InChI=1S/C12H4F5N3O4/c13-5-3(6(14)8(16)9(17)7(5)15)1-2-4-10(20(23)24)11(21)19-12(22)18-4/h1-2H,(H2,18,19,21,22)
InChIK	YZKXXKQJRANESQ-UHFFFAOYSA-N
TotalMolweight	349.171
Molweight	349.171
MonoisotopicMass	349.012197
CLogP	0.8
CLogS	-4.976
H Acceptors	7
H Donors	2
TotalSurfaceArea	223.02
Relative PSA	0.35611
PolarSurfaceArea	104.02
Druglikeness	-4.2227
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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