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

Formula:C29H20N8Cl4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N,6-N-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N,6-N-bis[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C29H20N8Cl4
Smiles	Clc1cc(Cl)c(/C=N\Nc2nc(N/N=C\c(ccc(Cl)c3)c3Cl)nc(N(c3ccccc3)c3ccccc3)n2)cc1
InChI	InChI=1S/C29H20Cl4N8/c30-21-13-11-19(25(32)15-21)17-34-39-27-36-28(40-35-18-20-12-14-22(31)16-26(20)33)38-29(37-27)41(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-18H,(H2,36,37,38,39,40)
InChIK	GZPUUIVMTSLCMH-UHFFFAOYSA-N
TotalMolweight	622.346
Molweight	622.346
MonoisotopicMass	620.0565
CLogP	12.462
CLogS	-11.988
H Acceptors	8
H Donors	2
TotalSurfaceArea	453
Relative PSA	0.1819
PolarSurfaceArea	90.69
Druglikeness	3.1495
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46341
Fragments	1
Non HAtoms	41
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	21
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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