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

Formula:C19H12N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3-nitrobenzoate is not a drug-like molecule.

MolName	[4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenyl] 3-nitrobenzoate
MolecularFormula	C19H12N4O8
Smiles	[O-][N+](c1cccc(C(Oc2ccc(/C=C/C(NC(NC3=O)=O)=C3[N+]([O-])=O)cc2)=O)c1)=O
InChI	InChI=1S/C19H12N4O8/c24-17-16(23(29)30)15(20-19(26)21-17)9-6-11-4-7-14(8-5-11)31-18(25)12-2-1-3-13(10-12)22(27)28/h1-10H,(H2,20,21,24,26)
InChIK	QCKICJGYPKSPQC-UHFFFAOYSA-N
TotalMolweight	424.324
Molweight	424.324
MonoisotopicMass	424.065516
CLogP	0.8049
CLogS	-5.336
H Acceptors	12
H Donors	2
TotalSurfaceArea	302.45
Relative PSA	0.43935
PolarSurfaceArea	176.14
Druglikeness	-2.815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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