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

Formula:C18H12N5OBrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C18H12N5OBrS
Smiles	S=C(NN=C1c2ncccc2)N1/N=C\c1ccc(-c(cccc2)c2Br)o1
InChI	InChI=1S/C18H12BrN5OS/c19-14-6-2-1-5-13(14)16-9-8-12(25-16)11-21-24-17(22-23-18(24)26)15-7-3-4-10-20-15/h1-11H,(H,23,26)
InChIK	AJZBXIIATNETGK-UHFFFAOYSA-N
TotalMolweight	426.297
Molweight	426.297
MonoisotopicMass	424.994591
CLogP	4.0122
CLogS	-5.974
H Acceptors	6
H Donors	1
TotalSurfaceArea	288.56
Relative PSA	0.31574
PolarSurfaceArea	98.11
Druglikeness	4.2993
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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