[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Formula:C14H13N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is not a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
MolecularFormula	C14H13N3O8
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(C1=COCCO1)=O)=O)=O)=O
InChI	InChI=1S/C14H13N3O8/c18-12(8-25-14(20)11-7-23-5-6-24-11)15-16-13(19)9-1-3-10(4-2-9)17(21)22/h1-4,7H,5-6,8H2,(H,15,18)(H,16,19)
InChIK	WZWNSDLXSUQJKN-UHFFFAOYSA-N
TotalMolweight	351.27
Molweight	351.27
MonoisotopicMass	351.070267
CLogP	-2.0336
CLogS	-2.823
H Acceptors	11
H Donors	2
TotalSurfaceArea	255.59
Relative PSA	0.47913
PolarSurfaceArea	148.78
Druglikeness	-8.8774
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate | 2 - [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

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