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

Formula:C32H24N8O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-N-naphthalen-1-yl-4-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	6-N-naphthalen-1-yl-4-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C32H24N8O2
Smiles	[O-][N+](c1cc(/C=N\Nc2nc(N(c3ccccc3)c3ccccc3)nc(Nc3cccc4ccccc34)n2)ccc1)=O
InChI	InChI=1S/C32H24N8O2/c41-40(42)27-18-9-11-23(21-27)22-33-38-31-35-30(34-29-20-10-13-24-12-7-8-19-28(24)29)36-32(37-31)39(25-14-3-1-4-15-25)26-16-5-2-6-17-26/h1-22H,(H2,34,35,36,37,38)
InChIK	QGVCFJCFJFRLBI-UHFFFAOYSA-N
TotalMolweight	552.597
Molweight	552.597
MonoisotopicMass	552.202222
CLogP	8.1489
CLogS	-11.155
H Acceptors	10
H Donors	2
TotalSurfaceArea	424.83
Relative PSA	0.23847
PolarSurfaceArea	124.15
Druglikeness	-2.17
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.40476
Fragments	1
Non HAtoms	42
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Sp3Atoms	1
Symmetricatoms	8
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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