(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)-1-phenylprop-2-en-1-one

Formula:C22H13NOCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H13NOCl2S
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c(c(Cl)ccc1)c1Cl)c1ccccc1
InChI	InChI=1S/C22H13Cl2NOS/c23-17-9-6-10-18(24)15(17)13-16(21(26)14-7-2-1-3-8-14)22-25-19-11-4-5-12-20(19)27-22/h1-13H
InChIK	MDLMVTZBQVKPRG-UHFFFAOYSA-N
TotalMolweight	410.323
Molweight	410.323
MonoisotopicMass	409.009488
CLogP	5.8598
CLogS	-6.533
H Acceptors	2
TotalSurfaceArea	295.38
Relative PSA	0.15021
PolarSurfaceArea	58.2
Druglikeness	2.3354
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40741
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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