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

Formula:C20H19N7OClF Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-chlorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-chlorophenyl)-2-N-[(Z)-(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7OClF
Smiles	Fc1ccc(/C=N\Nc2nc(Nc(cc3)ccc3Cl)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C20H19ClFN7O/c21-15-3-7-17(8-4-15)24-18-25-19(27-20(26-18)29-9-11-30-12-10-29)28-23-13-14-1-5-16(22)6-2-14/h1-8,13H,9-12H2,(H2,24,25,26,27,28)
InChIK	XPKYOWPYLDRPOB-UHFFFAOYSA-N
TotalMolweight	427.87
Molweight	427.87
MonoisotopicMass	427.132363
CLogP	6.1687
CLogS	-6.066
H Acceptors	8
H Donors	2
TotalSurfaceArea	320.35
Relative PSA	0.25251
PolarSurfaceArea	87.56
Druglikeness	2.1015
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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