6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C18H12N8O3F6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C18H12N8O3F6
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N/N=C\c2cnccc2)n1)=O
InChI	InChI=1S/C18H12F6N8O3/c19-17(20,21)13(18(22,23)24)35-16-29-14(27-11-3-5-12(6-4-11)32(33)34)28-15(30-16)31-26-9-10-2-1-7-25-8-10/h1-9,13H,(H2,27,28,29,30,31)
InChIK	SWSPBBPLZSYKBJ-UHFFFAOYSA-N
TotalMolweight	502.334
Molweight	502.334
MonoisotopicMass	502.093655
CLogP	5.5346
CLogS	-6.754
H Acceptors	11
H Donors	2
TotalSurfaceArea	340.59
Relative PSA	0.3486
PolarSurfaceArea	143.03
Druglikeness	-14.859
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	17
Electronegative Atoms	17
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	8
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

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