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

Formula:C13H8N3O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C13H8N3O4F3
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(C(F)(F)F)cc2)NC1=O)=O
InChI	InChI=1S/C13H8F3N3O4/c14-13(15,16)8-4-1-7(2-5-8)3-6-9-10(19(22)23)11(20)18-12(21)17-9/h1-6H,(H2,17,18,20,21)
InChIK	DWZDSROOLHIPKM-UHFFFAOYSA-N
TotalMolweight	327.218
Molweight	327.218
MonoisotopicMass	327.046691
CLogP	1.1443
CLogS	-4.184
H Acceptors	7
H Donors	2
TotalSurfaceArea	220.73
Relative PSA	0.35981
PolarSurfaceArea	104.02
Druglikeness	-10.073
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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