6-[[(E)-3-phenylprop-2-enylidene]amino]-3H-1,3-benzothiazole-2-thione

Formula:C16H12N2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-3-phenylprop-2-enylidene]amino]-3H-1,3-benzothiazole-2-thione is a drug-like molecule.

MolName	6-[[(E)-3-phenylprop-2-enylidene]amino]-3H-1,3-benzothiazole-2-thione
MolecularFormula	C16H12N2S2
Smiles	S=C1Sc(cc(cc2)/N=C/C=C/c3ccccc3)c2N1
InChI	InChI=1S/C16H12N2S2/c19-16-18-14-9-8-13(11-15(14)20-16)17-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,18,19)
InChIK	XOEUAOQEJMXSFW-UHFFFAOYSA-N
TotalMolweight	296.417
Molweight	296.417
MonoisotopicMass	296.044188
CLogP	1.7115
CLogS	-5.202
H Acceptors	2
H Donors	1
TotalSurfaceArea	232.44
Relative PSA	0.29453
PolarSurfaceArea	81.78
Druglikeness	0.10546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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