5-nitro-6-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1H-pyrimidine-2,4-dione

Formula:C14H10N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C14H10N4O6
Smiles	[O-][N+](c1ccc(/C=C/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C14H10N4O6/c19-13-12(18(23)24)11(15-14(20)16-13)4-2-1-3-9-5-7-10(8-6-9)17(21)22/h1-8H,(H2,15,16,19,20)
InChIK	OUVWCQDBPMZNIP-UHFFFAOYSA-N
TotalMolweight	330.255
Molweight	330.255
MonoisotopicMass	330.060036
CLogP	0.031
CLogS	-4.178
H Acceptors	10
H Donors	2
TotalSurfaceArea	241.44
Relative PSA	0.45494
PolarSurfaceArea	149.84
Druglikeness	-2.6845
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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