2-iodo-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

Formula:C16H13N4O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-iodo-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.

MolName	2-iodo-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
MolecularFormula	C16H13N4O4I
Smiles	[O-][N+](c1c(/C=N\NC(CNC(c(cccc2)c2I)=O)=O)cccc1)=O
InChI	InChI=1S/C16H13IN4O4/c17-13-7-3-2-6-12(13)16(23)18-10-15(22)20-19-9-11-5-1-4-8-14(11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22)
InChIK	ANLJUKJTLPIYJN-UHFFFAOYSA-N
TotalMolweight	452.203
Molweight	452.203
MonoisotopicMass	451.998154
CLogP	1.8008
CLogS	-4.964
H Acceptors	8
H Donors	2
TotalSurfaceArea	279.91
Relative PSA	0.32485
PolarSurfaceArea	116.38
Druglikeness	0.63252
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-iodo-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-iodo-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

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