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

Formula:C22H16N4OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2,4-dichlorophenyl)-4-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-4-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H16N4OCl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c1cc(OCc2ccccc2)ccc1
InChI	InChI=1S/C22H16Cl2N4OS/c23-17-9-10-19(20(24)12-17)21-26-27-22(30)28(21)25-13-16-7-4-8-18(11-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,27,30)
InChIK	VMEQAFBUZVPSGB-UHFFFAOYSA-N
TotalMolweight	455.368
Molweight	455.368
MonoisotopicMass	454.042185
CLogP	5.8551
CLogS	-7.264
H Acceptors	5
H Donors	1
TotalSurfaceArea	336.08
Relative PSA	0.22623
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	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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