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

Formula:C29H22N8I2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N,6-N-bis[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N,6-N-bis[(Z)-(3-iodophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C29H22N8I2
Smiles	Ic1cccc(/C=N\Nc2nc(N/N=C\c3cccc(I)c3)nc(N(c3ccccc3)c3ccccc3)n2)c1
InChI	InChI=1S/C29H22I2N8/c30-23-11-7-9-21(17-23)19-32-37-27-34-28(38-33-20-22-10-8-12-24(31)18-22)36-29(35-27)39(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-20H,(H2,34,35,36,37,38)
InChIK	IDXRGAHDNHEGDN-UHFFFAOYSA-N
TotalMolweight	736.35
Molweight	736.35
MonoisotopicMass	736.005688
CLogP	10.912
CLogS	-11.076
H Acceptors	8
H Donors	2
TotalSurfaceArea	443.88
Relative PSA	0.18564
PolarSurfaceArea	90.69
Druglikeness	3.6668
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.4359
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	20
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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