2-N-[(Z)-(4-iodophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

Formula:C22H17N8O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(4-iodophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-(4-iodophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C22H17N8O2I
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C\c(cc2)ccc2I)n1)=O
InChI	InChI=1S/C22H17IN8O2/c23-16-8-6-15(7-9-16)14-24-30-22-28-20(25-17-4-2-1-3-5-17)27-21(29-22)26-18-10-12-19(13-11-18)31(32)33/h1-14H,(H3,25,26,27,28,29,30)
InChIK	HAAMTGDFVYSXBN-UHFFFAOYSA-N
TotalMolweight	552.331
Molweight	552.331
MonoisotopicMass	552.05192
CLogP	6.3276
CLogS	-7.967
H Acceptors	10
H Donors	3
TotalSurfaceArea	357.91
Relative PSA	0.30516
PolarSurfaceArea	132.94
Druglikeness	-2.3775
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-N-[(Z)-(4-iodophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(4-iodophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

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