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

Formula:C16H14N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-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-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H14N4O2S
Smiles	S=C(NN=C1COc2ccccc2)N1/N=C\C=C\c1ccco1
InChI	InChI=1S/C16H14N4O2S/c23-16-19-18-15(12-22-14-6-2-1-3-7-14)20(16)17-10-4-8-13-9-5-11-21-13/h1-11H,12H2,(H,19,23)
InChIK	VXVVMRDWWQCBQD-UHFFFAOYSA-N
TotalMolweight	326.379
Molweight	326.379
MonoisotopicMass	326.083746
CLogP	2.1022
CLogS	-4.205
H Acceptors	6
H Donors	1
TotalSurfaceArea	261.67
Relative PSA	0.34448
PolarSurfaceArea	94.45
Druglikeness	3.3368
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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