(Z)-1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine

Formula:C12H9N4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine
MolecularFormula	C12H9N4ClS
Smiles	C#CCSc1nncn1/N=C\c1cccc(Cl)c1
InChI	InChI=1S/C12H9ClN4S/c1-2-6-18-12-16-14-9-17(12)15-8-10-4-3-5-11(13)7-10/h1,3-5,7-9H,6H2
InChIK	PXOKSBQXSKJSMG-UHFFFAOYSA-N
TotalMolweight	276.75
Molweight	276.75
MonoisotopicMass	276.023643
CLogP	2.6715
CLogS	-6.219
H Acceptors	4
TotalSurfaceArea	214.98
Relative PSA	0.26891
PolarSurfaceArea	68.37
Druglikeness	3.9824
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine

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