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

Formula:C22H15NOS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-one
MolecularFormula	C22H15NOS
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c1ccccc1)c1ccccc1
InChI	InChI=1S/C22H15NOS/c24-21(17-11-5-2-6-12-17)18(15-16-9-3-1-4-10-16)22-23-19-13-7-8-14-20(19)25-22/h1-15H
InChIK	FXZGIAFCYKFCDE-UHFFFAOYSA-N
TotalMolweight	341.433
Molweight	341.433
MonoisotopicMass	341.087434
CLogP	4.6478
CLogS	-5.061
H Acceptors	2
TotalSurfaceArea	264.54
Relative PSA	0.16773
PolarSurfaceArea	58.2
Druglikeness	2.2758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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