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

Formula:C29H22N8Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N,6-N-bis[(Z)-(2-bromophenyl)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-bromophenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C29H22N8Br2
Smiles	Brc1c(/C=N\Nc2nc(N/N=C\c(cccc3)c3Br)nc(N(c3ccccc3)c3ccccc3)n2)cccc1
InChI	InChI=1S/C29H22Br2N8/c30-25-17-9-7-11-21(25)19-32-37-27-34-28(38-33-20-22-12-8-10-18-26(22)31)36-29(35-27)39(23-13-3-1-4-14-23)24-15-5-2-6-16-24/h1-20H,(H2,34,35,36,37,38)
InChIK	VUNLTLQKCTXVBT-UHFFFAOYSA-N
TotalMolweight	642.358
Molweight	642.358
MonoisotopicMass	640.033414
CLogP	11.489
CLogS	-10.712
H Acceptors	8
H Donors	2
TotalSurfaceArea	428.58
Relative PSA	0.19226
PolarSurfaceArea	90.69
Druglikeness	1.3992
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.4359
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	30
Symmetricatoms	20
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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