N,4-bis[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazol-3-amine

Formula:C16H12N6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:low N,4-bis[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazol-3-amine is not a drug-like molecule.

MolName	N,4-bis[(Z)-(4-bromophenyl)methylideneamino]-1,2,4-triazol-3-amine
MolecularFormula	C16H12N6Br2
Smiles	Brc1ccc(/C=N\Nc2nncn2/N=C\c(cc2)ccc2Br)cc1
InChI	InChI=1S/C16H12Br2N6/c17-14-5-1-12(2-6-14)9-19-22-16-23-20-11-24(16)21-10-13-3-7-15(18)8-4-13/h1-11H,(H,22,23)
InChIK	DUNZPKKWJFDOJN-UHFFFAOYSA-N
TotalMolweight	448.121
Molweight	448.121
MonoisotopicMass	445.949016
CLogP	6.2295
CLogS	-7.782
H Acceptors	6
H Donors	1
TotalSurfaceArea	277.74
Relative PSA	0.22787
PolarSurfaceArea	67.46
Druglikeness	2.9572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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