N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Formula:C15H12N4O7 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.

MolName	N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
MolecularFormula	C15H12N4O7
Smiles	[O-][N+](c1ccc(/C=N\NC(CNC(c(cc2)cc3c2OCO3)=O)=O)o1)=O
InChI	InChI=1S/C15H12N4O7/c20-13(18-17-6-10-2-4-14(26-10)19(22)23)7-16-15(21)9-1-3-11-12(5-9)25-8-24-11/h1-6H,7-8H2,(H,16,21)(H,18,20)
InChIK	QEOFVCGZNAKGBM-UHFFFAOYSA-N
TotalMolweight	360.281
Molweight	360.281
MonoisotopicMass	360.070601
CLogP	1.0152
CLogS	-4.866
H Acceptors	11
H Donors	2
TotalSurfaceArea	263.58
Relative PSA	0.47439
PolarSurfaceArea	147.98
Druglikeness	3.8289
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
AcidicOxygens	1
StereoCon

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