[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-iodobenzoate

Formula:C16H12N3O6I Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-iodobenzoate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-iodobenzoate
MolecularFormula	C16H12N3O6I
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c(cccc1)c1I)=O)=O)=O)=O
InChI	InChI=1S/C16H12IN3O6/c17-13-4-2-1-3-12(13)16(23)26-9-14(21)18-19-15(22)10-5-7-11(8-6-10)20(24)25/h1-8H,9H2,(H,18,21)(H,19,22)
InChIK	NKYHXQLDRTYJIG-UHFFFAOYSA-N
TotalMolweight	469.186
Molweight	469.186
MonoisotopicMass	468.977085
CLogP	0.691
CLogS	-4.689
H Acceptors	9
H Donors	2
TotalSurfaceArea	282.9
Relative PSA	0.36218
PolarSurfaceArea	130.32
Druglikeness	-1.7498
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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