4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C19H19N8OCl Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C19H19N8OCl
Smiles	Clc(cc1)ccc1Nc1nc(N2CCOCC2)nc(N/N=C/c2cnccc2)n1
InChI	InChI=1S/C19H19ClN8O/c20-15-3-5-16(6-4-15)23-17-24-18(27-22-13-14-2-1-7-21-12-14)26-19(25-17)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24,25,26,27)
InChIK	VYOFVEDWGKLKGL-UHFFFAOYSA-N
TotalMolweight	410.868
Molweight	410.868
MonoisotopicMass	410.137034
CLogP	5.067
CLogS	-4.957
H Acceptors	9
H Donors	2
TotalSurfaceArea	312.76
Relative PSA	0.29371
PolarSurfaceArea	100.45
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	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	3
StereoCon

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1 - 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 4-N-(4-chlorophenyl)-6-morpholin-4-yl-2-N-[(E)-pyridin-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine

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