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

Formula:C19H12N4OBrClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H12N4OBrClS
Smiles	S=C(NN=C1c2cc(Cl)ccc2)N1/N=C\c1ccc(-c(cccc2)c2Br)o1
InChI	InChI=1S/C19H12BrClN4OS/c20-16-7-2-1-6-15(16)17-9-8-14(26-17)11-22-25-18(23-24-19(25)27)12-4-3-5-13(21)10-12/h1-11H,(H,24,27)
InChIK	JAFDXOAGWHBGFJ-UHFFFAOYSA-N
TotalMolweight	459.754
Molweight	459.754
MonoisotopicMass	457.960369
CLogP	5.5651
CLogS	-7.481
H Acceptors	5
H Donors	1
TotalSurfaceArea	305.22
Relative PSA	0.26256
PolarSurfaceArea	85.22
Druglikeness	4.3321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
StereoCon

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