(E)-N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-3-phenylprop-2-enamide

Formula:C22H14N2OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-3-phenylprop-2-enamide
MolecularFormula	C22H14N2OCl2S
Smiles	O=C(/C=C/c1ccccc1)Nc(c(-c1nc(cccc2)c2s1)cc(Cl)c1)c1Cl
InChI	InChI=1S/C22H14Cl2N2OS/c23-15-12-16(22-25-18-8-4-5-9-19(18)28-22)21(17(24)13-15)26-20(27)11-10-14-6-2-1-3-7-14/h1-13H,(H,26,27)
InChIK	JOYKESHYROJZEF-UHFFFAOYSA-N
TotalMolweight	425.338
Molweight	425.338
MonoisotopicMass	424.020387
CLogP	6.1805
CLogS	-6.531
H Acceptors	3
H Donors	1
TotalSurfaceArea	308.63
Relative PSA	0.1809
PolarSurfaceArea	70.23
Druglikeness	0.9684
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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