[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C16H13N3O7 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C16H13N3O7
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(/C=C/c1ccco1)=O)=O)=O)=O
InChI	InChI=1S/C16H13N3O7/c20-14(10-26-15(21)8-7-13-2-1-9-25-13)17-18-16(22)11-3-5-12(6-4-11)19(23)24/h1-9H,10H2,(H,17,20)(H,18,22)
InChIK	KHEUYFCIIKADTI-UHFFFAOYSA-N
TotalMolweight	359.293
Molweight	359.293
MonoisotopicMass	359.075352
CLogP	-0.2282
CLogS	-3.725
H Acceptors	10
H Donors	2
TotalSurfaceArea	272.81
Relative PSA	0.42729
PolarSurfaceArea	143.46
Druglikeness	-4.1553
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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