(2Z)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(4-chlorophenyl)ethanone

Formula:C22H16NOClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(4-chlorophenyl)ethanone is a drug-like molecule.

MolName	(2Z)-2-(3-benzyl-1,3-benzothiazol-2-ylidene)-1-(4-chlorophenyl)ethanone
MolecularFormula	C22H16NOClS
Smiles	O=C(/C=C1\Sc(cccc2)c2N1Cc1ccccc1)c(cc1)ccc1Cl
InChI	InChI=1S/C22H16ClNOS/c23-18-12-10-17(11-13-18)20(25)14-22-24(15-16-6-2-1-3-7-16)19-8-4-5-9-21(19)26-22/h1-14H,15H2
InChIK	HMEMPUXLZTWDMN-UHFFFAOYSA-N
TotalMolweight	377.894
Molweight	377.894
MonoisotopicMass	377.064111
CLogP	4.8395
CLogS	-6.803
H Acceptors	2
TotalSurfaceArea	278.71
Relative PSA	0.12228
PolarSurfaceArea	45.61
Druglikeness	3.0202
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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