6-N-benzyl-2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

Formula:C23H19N7Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 6-N-benzyl-2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	6-N-benzyl-2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C23H19N7Cl2
Smiles	Clc1cccc(Cl)c1/C=N\Nc1nc(Nc2ccccc2)nc(NCc2ccccc2)n1
InChI	InChI=1S/C23H19Cl2N7/c24-19-12-7-13-20(25)18(19)15-27-32-23-30-21(26-14-16-8-3-1-4-9-16)29-22(31-23)28-17-10-5-2-6-11-17/h1-13,15H,14H2,(H3,26,28,29,30,31,32)
InChIK	DEYYETFDTGEHTE-UHFFFAOYSA-N
TotalMolweight	464.359
Molweight	464.359
MonoisotopicMass	463.107897
CLogP	8.07
CLogS	-7.768
H Acceptors	7
H Donors	3
TotalSurfaceArea	352.56
Relative PSA	0.22351
PolarSurfaceArea	87.12
Druglikeness	2.9184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	7
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 6-N-benzyl-2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 6-N-benzyl-2-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

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