2-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

Formula:C23H18N7O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C23H18N7O2Cl
Smiles	Clc1c(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc2OCOc2c1
InChI	InChI=1S/C23H18ClN7O2/c24-18-12-20-19(32-14-33-20)11-15(18)13-25-31-23-29-21(26-16-7-3-1-4-8-16)28-22(30-23)27-17-9-5-2-6-10-17/h1-13H,14H2,(H3,26,27,28,29,30,31)
InChIK	ACOJJOZHXJUINP-UHFFFAOYSA-N
TotalMolweight	459.896
Molweight	459.896
MonoisotopicMass	459.12105
CLogP	8.0407
CLogS	-7.938
H Acceptors	9
H Donors	3
TotalSurfaceArea	343.64
Relative PSA	0.28751
PolarSurfaceArea	105.58
Druglikeness	2.1175
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	11
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

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