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

Formula:C20H20N7OCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H20N7OCl
Smiles	Clc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)cc1
InChI	InChI=1S/C20H20ClN7O/c21-16-8-6-15(7-9-16)14-22-27-19-24-18(23-17-4-2-1-3-5-17)25-20(26-19)28-10-12-29-13-11-28/h1-9,14H,10-13H2,(H2,23,24,25,26,27)
InChIK	CKKBZVBIMUQJHL-UHFFFAOYSA-N
TotalMolweight	409.88
Molweight	409.88
MonoisotopicMass	409.141785
CLogP	6.0679
CLogS	-5.752
H Acceptors	8
H Donors	2
TotalSurfaceArea	314
Relative PSA	0.25761
PolarSurfaceArea	87.56
Druglikeness	3.4415
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
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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