4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C15H12N4OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H12N4OS
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C15H12N4OS/c21-15-18-17-14(12-6-2-1-3-7-12)19(15)16-10-4-8-13-9-5-11-20-13/h1-11H,(H,18,21)
InChIK	TZIKPOKMALALDY-UHFFFAOYSA-N
TotalMolweight	296.353
Molweight	296.353
MonoisotopicMass	296.073181
CLogP	2.502
CLogS	-4.425
H Acceptors	5
H Donors	1
TotalSurfaceArea	237.91
Relative PSA	0.33685
PolarSurfaceArea	85.22
Druglikeness	3.4767
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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