2-hydroxy-3,5-dinitro-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide

Formula:C14H9N5O9 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-hydroxy-3,5-dinitro-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide is not a drug-like molecule.

MolName	2-hydroxy-3,5-dinitro-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
MolecularFormula	C14H9N5O9
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)=O)o1)=O
InChI	InChI=1S/C14H9N5O9/c20-13-10(6-8(17(22)23)7-11(13)18(24)25)14(21)16-15-5-1-2-9-3-4-12(28-9)19(26)27/h1-7,20H,(H,16,21)
InChIK	OKARQUYKPASIMF-UHFFFAOYSA-N
TotalMolweight	391.251
Molweight	391.251
MonoisotopicMass	391.04003
CLogP	-0.3505
CLogS	-5.304
H Acceptors	14
H Donors	2
TotalSurfaceArea	280.54
Relative PSA	0.55065
PolarSurfaceArea	212.29
Druglikeness	1.1143
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
AcidicOxygens	3
StereoCon

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