6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine

Formula:C20H20N8O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H20N8O3
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)cc1)=O
InChI	InChI=1S/C20H20N8O3/c29-28(30)17-8-6-15(7-9-17)14-21-26-19-23-18(22-16-4-2-1-3-5-16)24-20(25-19)27-10-12-31-13-11-27/h1-9,14H,10-13H2,(H2,22,23,24,25,26)
InChIK	FGBUUCBGRKTFIX-UHFFFAOYSA-N
TotalMolweight	420.432
Molweight	420.432
MonoisotopicMass	420.165837
CLogP	4.0291
CLogS	-5.476
H Acceptors	11
H Donors	2
TotalSurfaceArea	322.25
Relative PSA	0.34542
PolarSurfaceArea	133.38
Druglikeness	-1.7335
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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