[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3,5-dinitrobenzoate

Formula:C19H11N5O10 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3,5-dinitrobenzoate is not a drug-like molecule.

MolName	[3-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3,5-dinitrobenzoate
MolecularFormula	C19H11N5O10
Smiles	[O-][N+](c1cc(C(Oc2cccc(/C=C/C(NC(NC3=O)=O)=C3[N+]([O-])=O)c2)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C19H11N5O10/c25-17-16(24(32)33)15(20-19(27)21-17)5-4-10-2-1-3-14(6-10)34-18(26)11-7-12(22(28)29)9-13(8-11)23(30)31/h1-9H,(H2,20,21,25,27)
InChIK	DCXSJKCRIYUPPN-UHFFFAOYSA-N
TotalMolweight	469.321
Molweight	469.321
MonoisotopicMass	469.050595
CLogP	-0.1167
CLogS	-5.796
H Acceptors	15
H Donors	2
TotalSurfaceArea	326.12
Relative PSA	0.50074
PolarSurfaceArea	221.96
Druglikeness	-2.815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	5
Amides	2
AcidicOxygens	3
StereoCon

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