(Z)-1-(4,6-dichloro-2H-thiochromen-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C12H8N4Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-1-(4,6-dichloro-2H-thiochromen-3-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(4,6-dichloro-2H-thiochromen-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C12H8N4Cl2S
Smiles	Clc(cc1)cc2c1SCC(/C=N\n1cnnc1)=C2Cl
InChI	InChI=1S/C12H8Cl2N4S/c13-9-1-2-11-10(3-9)12(14)8(5-19-11)4-17-18-6-15-16-7-18/h1-4,6-7H,5H2
InChIK	ANYYUQUTCRBPEL-UHFFFAOYSA-N
TotalMolweight	311.196
Molweight	311.196
MonoisotopicMass	309.98467
CLogP	1.835
CLogS	-5.237
H Acceptors	4
TotalSurfaceArea	216.01
Relative PSA	0.26763
PolarSurfaceArea	68.37
Druglikeness	4.1378
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (Z)-1-(4,6-dichloro-2H-thiochromen-3-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(4,6-dichloro-2H-thiochromen-3-yl)-N-(1,2,4-triazol-4-yl)methanimine

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