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

Formula:C20H16N7OI Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C20H16N7OI
Smiles	Ic1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1
InChI	InChI=1S/C20H16IN7O/c21-17-12-11-16(29-17)13-22-28-20-26-18(23-14-7-3-1-4-8-14)25-19(27-20)24-15-9-5-2-6-10-15/h1-13H,(H3,23,24,25,26,27,28)
InChIK	LFPDUYIQGUHNKJ-UHFFFAOYSA-N
TotalMolweight	497.295
Molweight	497.295
MonoisotopicMass	497.046106
CLogP	7.0465
CLogS	-6.952
H Acceptors	8
H Donors	3
TotalSurfaceArea	323.93
Relative PSA	0.28682
PolarSurfaceArea	100.26
Druglikeness	4.9497
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	11
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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