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

Formula:C17H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-formylbenzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 4-formylbenzoate
MolecularFormula	C17H13N3O7
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1ccc(C=O)cc1)=O)=O)=O)=O
InChI	InChI=1S/C17H13N3O7/c21-9-11-1-3-13(4-2-11)17(24)27-10-15(22)18-19-16(23)12-5-7-14(8-6-12)20(25)26/h1-9H,10H2,(H,18,22)(H,19,23)
InChIK	ZEGDODYJRKMSMF-UHFFFAOYSA-N
TotalMolweight	371.304
Molweight	371.304
MonoisotopicMass	371.075352
CLogP	0.1872
CLogS	-3.997
H Acceptors	10
H Donors	2
TotalSurfaceArea	276.16
Relative PSA	0.41824
PolarSurfaceArea	147.39
Druglikeness	-4.3966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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