3-(2-bromophenyl)-4-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C15H11N4OBrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H11N4OBrS
Smiles	Oc1cccc(/C=N\N(C(c(cccc2)c2Br)=NN2)C2=S)c1
InChI	InChI=1S/C15H11BrN4OS/c16-13-7-2-1-6-12(13)14-18-19-15(22)20(14)17-9-10-4-3-5-11(21)8-10/h1-9,21H,(H,19,22)
InChIK	GMSMFZAHESUCIL-UHFFFAOYSA-N
TotalMolweight	375.249
Molweight	375.249
MonoisotopicMass	373.983692
CLogP	3.6745
CLogS	-4.989
H Acceptors	5
H Donors	2
TotalSurfaceArea	246.7
Relative PSA	0.32075
PolarSurfaceArea	92.31
Druglikeness	1.7119
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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