4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate

Formula:C11H10N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate is a drug-like molecule.

MolName	4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
MolecularFormula	C11H10N3O6
Smiles	[O-]C(CCC(NNC(c(cc1)ccc1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C11H11N3O6/c15-9(5-6-10(16)17)12-13-11(18)7-1-3-8(4-2-7)14(19)20/h1-4H,5-6H2,(H,12,15)(H,13,18)(H,16,17)/p-1
InChIK	JDZIORQQWHFDKH-UHFFFAOYSA-M
TotalMolweight	280.215
Molweight	280.215
MonoisotopicMass	280.056962
CLogP	-3.1913
CLogS	-2.615
H Acceptors	9
H Donors	2
TotalSurfaceArea	208.15
Relative PSA	0.5128
PolarSurfaceArea	144.15
Druglikeness	-4.4635
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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