4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Formula:C16H12N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H12N4OCl2S
Smiles	S=C(NN=C1COc2ccccc2)N1/N=C\c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C16H12Cl2N4OS/c17-13-7-6-11(8-14(13)18)9-19-22-15(20-21-16(22)24)10-23-12-4-2-1-3-5-12/h1-9H,10H2,(H,21,24)
InChIK	QXNSOMYTOBHFNR-UHFFFAOYSA-N
TotalMolweight	379.27
Molweight	379.27
MonoisotopicMass	378.010885
CLogP	4.1072
CLogS	-5.703
H Acceptors	5
H Donors	1
TotalSurfaceArea	276.32
Relative PSA	0.27515
PolarSurfaceArea	81.31
Druglikeness	3.229
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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1 - 4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

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