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

Formula:C22H14NOIS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-iodophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H14NOIS
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c(cccc1)c1I)c1ccccc1
InChI	InChI=1S/C22H14INOS/c23-18-11-5-4-10-16(18)14-17(21(25)15-8-2-1-3-9-15)22-24-19-12-6-7-13-20(19)26-22/h1-14H
InChIK	GWPJOGCRTGRLGO-UHFFFAOYSA-N
TotalMolweight	467.325
Molweight	467.325
MonoisotopicMass	466.984082
CLogP	5.0849
CLogS	-6.077
H Acceptors	2
TotalSurfaceArea	290.82
Relative PSA	0.15257
PolarSurfaceArea	58.2
Druglikeness	2.8025
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42308
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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