2-[[2,6-dibromo-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzonitrile

Formula:C23H15N5OBr2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[[2,6-dibromo-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[2,6-dibromo-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzonitrile
MolecularFormula	C23H15N5OBr2S
Smiles	N#Cc1c(COc(c(Br)cc(/C=N\N(C(c2ccccc2)=NN2)C2=S)c2)c2Br)cccc1
InChI	InChI=1S/C23H15Br2N5OS/c24-19-10-15(11-20(25)21(19)31-14-18-9-5-4-8-17(18)12-26)13-27-30-22(28-29-23(30)32)16-6-2-1-3-7-16/h1-11,13H,14H2,(H,29,32)
InChIK	JBDFPVBGXUOKLW-UHFFFAOYSA-N
TotalMolweight	569.28
Molweight	569.28
MonoisotopicMass	566.936402
CLogP	5.9291
CLogS	-8.233
H Acceptors	6
H Donors	1
TotalSurfaceArea	364.21
Relative PSA	0.24598
PolarSurfaceArea	105.1
Druglikeness	-2.8913
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	5
StereoCon

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1 - 2-[[2,6-dibromo-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2,6-dibromo-4-[(Z)-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]benzonitrile

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