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

Formula:C21H17N8O3Cl2F3 Mutagenic:high Tumorigenic:none Reproductive Effective:low 2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,4-dichloro-5-nitrophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H17N8O3Cl2F3
Smiles	[O-][N+](c(cc(/C=N\Nc1nc(N2CCOCC2)nc(Nc2cc(C(F)(F)F)ccc2)n1)c(Cl)c1)c1Cl)=O
InChI	InChI=1S/C21H17Cl2F3N8O3/c22-15-10-16(23)17(34(35)36)8-12(15)11-27-32-19-29-18(30-20(31-19)33-4-6-37-7-5-33)28-14-3-1-2-13(9-14)21(24,25)26/h1-3,8-11H,4-7H2,(H2,28,29,30,31,32)
InChIK	PWDMVGJKHVRGIA-UHFFFAOYSA-N
TotalMolweight	557.319
Molweight	557.319
MonoisotopicMass	556.075275
CLogP	6.0894
CLogS	-7.726
H Acceptors	11
H Donors	2
TotalSurfaceArea	382.55
Relative PSA	0.29097
PolarSurfaceArea	133.38
Druglikeness	-8.8945
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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