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

Formula:C15H10N4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N4Cl2S
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c1cccc(Cl)c1Cl
InChI	InChI=1S/C15H10Cl2N4S/c16-12-8-4-7-11(13(12)17)9-18-21-14(19-20-15(21)22)10-5-2-1-3-6-10/h1-9H,(H,20,22)
InChIK	DASZTWDYUPRZPX-UHFFFAOYSA-N
TotalMolweight	349.244
Molweight	349.244
MonoisotopicMass	348.00032
CLogP	4.507
CLogS	-5.923
H Acceptors	4
H Donors	1
TotalSurfaceArea	252.56
Relative PSA	0.26144
PolarSurfaceArea	72.08
Druglikeness	3.6145
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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