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

Formula:C15H18N4OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-cyclohexyl-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-cyclohexyl-4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H18N4OS
Smiles	S=C(NN=C1C2CCCCC2)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C15H18N4OS/c21-15-18-17-14(12-6-2-1-3-7-12)19(15)16-10-4-8-13-9-5-11-20-13/h4-5,8-12H,1-3,6-7H2,(H,18,21)
InChIK	ZMIYKKQTKFAGKZ-UHFFFAOYSA-N
TotalMolweight	302.401
Molweight	302.401
MonoisotopicMass	302.120131
CLogP	2.4276
CLogS	-4.581
H Acceptors	5
H Donors	1
TotalSurfaceArea	245.95
Relative PSA	0.32584
PolarSurfaceArea	85.22
Druglikeness	-1.2369
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	1
Aromatic Atoms	5
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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