[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxochromene-2-carboxylate

Formula:C19H13N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxochromene-2-carboxylate is not a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-oxochromene-2-carboxylate
MolecularFormula	C19H13N3O8
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(C(Oc1c2cccc1)=CC2=O)=O)=O)=O)=O
InChI	InChI=1S/C19H13N3O8/c23-14-9-16(30-15-4-2-1-3-13(14)15)19(26)29-10-17(24)20-21-18(25)11-5-7-12(8-6-11)22(27)28/h1-9H,10H2,(H,20,24)(H,21,25)
InChIK	MIRRDFYSZGSNKD-UHFFFAOYSA-N
TotalMolweight	411.325
Molweight	411.325
MonoisotopicMass	411.070267
CLogP	-0.0889
CLogS	-4.433
H Acceptors	11
H Donors	2
TotalSurfaceArea	295.58
Relative PSA	0.42459
PolarSurfaceArea	156.62
Druglikeness	-0.90068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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