[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] benzoate

Formula:C19H13N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] benzoate is a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] benzoate
MolecularFormula	C19H13N3O6
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2OC(c2ccccc2)=O)NC1=O)=O
InChI	InChI=1S/C19H13N3O6/c23-17-16(22(26)27)15(20-19(25)21-17)11-8-12-6-9-14(10-7-12)28-18(24)13-4-2-1-3-5-13/h1-11H,(H2,20,21,23,25)
InChIK	GTNCYOLGGUHZBT-UHFFFAOYSA-N
TotalMolweight	379.327
Molweight	379.327
MonoisotopicMass	379.080437
CLogP	1.7265
CLogS	-4.876
H Acceptors	9
H Donors	2
TotalSurfaceArea	278.78
Relative PSA	0.36753
PolarSurfaceArea	130.32
Druglikeness	-2.815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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