4-N,6-N-diphenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine

Formula:C21H18N8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-N,6-N-diphenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N,6-N-diphenyl-2-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C21H18N8
Smiles	C(c1cnccc1)=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChI	InChI=1S/C21H18N8/c1-3-9-17(10-4-1)24-19-26-20(25-18-11-5-2-6-12-18)28-21(27-19)29-23-15-16-8-7-13-22-14-16/h1-15H,(H3,24,25,26,27,28,29)
InChIK	RTHILYFEIRNUJI-UHFFFAOYSA-N
TotalMolweight	382.43
Molweight	382.43
MonoisotopicMass	382.165442
CLogP	6.3224
CLogS	-5.696
H Acceptors	8
H Donors	3
TotalSurfaceArea	306.72
Relative PSA	0.29268
PolarSurfaceArea	100.01
Druglikeness	2.5594
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Symmetricatoms	11
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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