4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile

Formula:C21H20N8O Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.

MolName	4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzonitrile
MolecularFormula	C21H20N8O
Smiles	N#Cc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C21H20N8O/c22-14-16-6-8-17(9-7-16)15-23-28-20-25-19(24-18-4-2-1-3-5-18)26-21(27-20)29-10-12-30-13-11-29/h1-9,15H,10-13H2,(H2,24,25,26,27,28)
InChIK	WIHQDXLATUGBTK-UHFFFAOYSA-N
TotalMolweight	400.445
Molweight	400.445
MonoisotopicMass	400.176007
CLogP	5.2975
CLogS	-5.789
H Acceptors	9
H Donors	2
TotalSurfaceArea	320.29
Relative PSA	0.29489
PolarSurfaceArea	111.35
Druglikeness	-0.85406
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	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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