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

Formula:C27H20N10O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-N-naphthalen-1-yl-2-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	6-N-naphthalen-1-yl-2-N,4-N-bis[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C27H20N10O4
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(Nc3cccc4ccccc34)nc(N/N=C\c(cc3)ccc3[N+]([O-])=O)n2)cc1)=O
InChI	InChI=1S/C27H20N10O4/c38-36(39)21-12-8-18(9-13-21)16-28-34-26-31-25(30-24-7-3-5-20-4-1-2-6-23(20)24)32-27(33-26)35-29-17-19-10-14-22(15-11-19)37(40)41/h1-17H,(H3,30,31,32,33,34,35)
InChIK	MBQVUCNRZDYRHT-UHFFFAOYSA-N
TotalMolweight	548.522
Molweight	548.522
MonoisotopicMass	548.1669
CLogP	7.8142
CLogS	-8.972
H Acceptors	14
H Donors	3
TotalSurfaceArea	414.66
Relative PSA	0.36452
PolarSurfaceArea	191.12
Druglikeness	-2.9492
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	16
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	2
StereoCon

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

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