(E)-4-[2-[2-(4-nitrophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid

Formula:C12H11N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[2-(4-nitrophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[2-(4-nitrophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
MolecularFormula	C12H11N3O7
Smiles	[O-][N+](c(cc1)ccc1OCC(NNC(/C=C/C(O)=O)=O)=O)=O
InChI	InChI=1S/C12H11N3O7/c16-10(5-6-12(18)19)13-14-11(17)7-22-9-3-1-8(2-4-9)15(20)21/h1-6H,7H2,(H,13,16)(H,14,17)(H,18,19)
InChIK	ASUJPMTYVBKMDX-UHFFFAOYSA-N
TotalMolweight	309.233
Molweight	309.233
MonoisotopicMass	309.059702
CLogP	-1.7926
CLogS	-2.167
H Acceptors	10
H Donors	3
TotalSurfaceArea	229.71
Relative PSA	0.50307
PolarSurfaceArea	150.55
Druglikeness	-3.0692
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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