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

Formula:C20H19N8O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N8O3Cl
Smiles	[O-][N+](c1ccc(/C=N\Nc2nc(Nc(cc3)ccc3Cl)nc(N3CCOCC3)n2)cc1)=O
InChI	InChI=1S/C20H19ClN8O3/c21-15-3-5-16(6-4-15)23-18-24-19(26-20(25-18)28-9-11-32-12-10-28)27-22-13-14-1-7-17(8-2-14)29(30)31/h1-8,13H,9-12H2,(H2,23,24,25,26,27)
InChIK	YEQCTOWPXVDKTF-UHFFFAOYSA-N
TotalMolweight	454.877
Molweight	454.877
MonoisotopicMass	454.126864
CLogP	4.6351
CLogS	-6.212
H Acceptors	11
H Donors	2
TotalSurfaceArea	337.67
Relative PSA	0.32964
PolarSurfaceArea	133.38
Druglikeness	-1.7045
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
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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1 - 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4-diamine

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