[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] benzoate

Formula:C16H13N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] benzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] benzoate
MolecularFormula	C16H13N3O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1ccccc1)=O)=O)=O)=O
InChI	InChI=1S/C16H13N3O6/c20-14(10-25-16(22)12-4-2-1-3-5-12)17-18-15(21)11-6-8-13(9-7-11)19(23)24/h1-9H,10H2,(H,17,20)(H,18,21)
InChIK	RWBCKSJJXDEQSA-UHFFFAOYSA-N
TotalMolweight	343.294
Molweight	343.294
MonoisotopicMass	343.080437
CLogP	0.2539
CLogS	-3.673
H Acceptors	9
H Donors	2
TotalSurfaceArea	256.62
Relative PSA	0.39927
PolarSurfaceArea	130.32
Druglikeness	-2.2466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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