4-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C18H12N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C18H12N4OCl2S
Smiles	C#CCOc(c(Cl)cc(/C=N\N(C(c1ccccc1)=NN1)C1=S)c1)c1Cl
InChI	InChI=1S/C18H12Cl2N4OS/c1-2-8-25-16-14(19)9-12(10-15(16)20)11-21-24-17(22-23-18(24)26)13-6-4-3-5-7-13/h1,3-7,9-11H,8H2,(H,23,26)
InChIK	LZBUQVUYBBZKLG-UHFFFAOYSA-N
TotalMolweight	403.292
Molweight	403.292
MonoisotopicMass	402.010885
CLogP	4.4642
CLogS	-6.565
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.13
Relative PSA	0.25332
PolarSurfaceArea	81.31
Druglikeness	3.2697
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	5
StereoCon

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