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

Formula:C27H20N8I2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-N,4-N-bis[(Z)-(3-iodophenyl)methylideneamino]-6-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N,4-N-bis[(Z)-(3-iodophenyl)methylideneamino]-6-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C27H20N8I2
Smiles	Ic1cccc(/C=N\Nc2nc(Nc3cccc4ccccc34)nc(N/N=C\c3cccc(I)c3)n2)c1
InChI	InChI=1S/C27H20I2N8/c28-21-10-3-6-18(14-21)16-30-36-26-33-25(32-24-13-5-9-20-8-1-2-12-23(20)24)34-27(35-26)37-31-17-19-7-4-11-22(29)15-19/h1-17H,(H3,32,33,34,35,36,37)
InChIK	OLGIOVUHMJBVID-UHFFFAOYSA-N
TotalMolweight	710.312
Molweight	710.312
MonoisotopicMass	709.990038
CLogP	11.043
CLogS	-10.084
H Acceptors	8
H Donors	3
TotalSurfaceArea	419.88
Relative PSA	0.21509
PolarSurfaceArea	99.48
Druglikeness	3.0801
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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