4-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C16H11N4O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H11N4O2ClS
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c(cc1OCOc1c1)c1Cl
InChI	InChI=1S/C16H11ClN4O2S/c17-12-7-14-13(22-9-23-14)6-11(12)8-18-21-15(19-20-16(21)24)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,24)
InChIK	YXDOZDQUFNBPRG-UHFFFAOYSA-N
TotalMolweight	358.808
Molweight	358.808
MonoisotopicMass	358.029123
CLogP	4.0124
CLogS	-5.898
H Acceptors	6
H Donors	1
TotalSurfaceArea	257.4
Relative PSA	0.33423
PolarSurfaceArea	90.54
Druglikeness	3.4141
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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