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

Formula:C22H15N4OCl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H15N4OCl3S
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c(cc1)cc(Cl)c1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C22H15Cl3N4OS/c23-17-8-6-15(11-18(17)24)13-30-20-9-7-14(10-19(20)25)12-26-29-21(27-28-22(29)31)16-4-2-1-3-5-16/h1-12H,13H2,(H,28,31)
InChIK	DDFSQHDPDGLWKW-UHFFFAOYSA-N
TotalMolweight	489.813
Molweight	489.813
MonoisotopicMass	488.003212
CLogP	6.4611
CLogS	-8
H Acceptors	5
H Donors	1
TotalSurfaceArea	351.5
Relative PSA	0.2163
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	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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