(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one

Formula:C24H17NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one
MolecularFormula	C24H17NO3S
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c(cc1)cc2c1OCCO2)c1ccccc1
InChI	InChI=1S/C24H17NO3S/c26-23(17-6-2-1-3-7-17)18(24-25-19-8-4-5-9-22(19)29-24)14-16-10-11-20-21(15-16)28-13-12-27-20/h1-11,14-15H,12-13H2
InChIK	WNLOGQNAMVPZJH-UHFFFAOYSA-N
TotalMolweight	399.469
Molweight	399.469
MonoisotopicMass	399.092914
CLogP	4.6266
CLogS	-5.243
H Acceptors	4
TotalSurfaceArea	298.56
Relative PSA	0.2156
PolarSurfaceArea	76.66
Druglikeness	-4.8288
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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