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

Formula:C14H10N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-nitro-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide is a drug-like molecule.

MolName	3-nitro-N-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzamide
MolecularFormula	C14H10N4O6
Smiles	[O-][N+](c1ccc(/C=C/C=N\NC(c2cccc([N+]([O-])=O)c2)=O)o1)=O
InChI	InChI=1S/C14H10N4O6/c19-14(10-3-1-4-11(9-10)17(20)21)16-15-8-2-5-12-6-7-13(24-12)18(22)23/h1-9H,(H,16,19)
InChIK	PBXWEFTWHLPFBP-UHFFFAOYSA-N
TotalMolweight	330.255
Molweight	330.255
MonoisotopicMass	330.060036
CLogP	0.9168
CLogS	-5.14
H Acceptors	10
H Donors	1
TotalSurfaceArea	250.52
Relative PSA	0.44292
PolarSurfaceArea	146.24
Druglikeness	1.1156
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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