(Z)-2-(1,3-benzothiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-phenylprop-2-en-1-one

Formula:C23H15NO2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-[2-(difluoromethoxy)phenyl]-1-phenylprop-2-en-1-one
MolecularFormula	C23H15NO2F2S
Smiles	O=C(/C(/c1nc(cccc2)c2s1)=C/c(cccc1)c1OC(F)F)c1ccccc1
InChI	InChI=1S/C23H15F2NO2S/c24-23(25)28-19-12-6-4-10-16(19)14-17(21(27)15-8-2-1-3-9-15)22-26-18-11-5-7-13-20(18)29-22/h1-14,23H
InChIK	FLGUMFGRMAAUBQ-UHFFFAOYSA-N
TotalMolweight	407.439
Molweight	407.439
MonoisotopicMass	407.079155
CLogP	4.8172
CLogS	-5.683
H Acceptors	3
TotalSurfaceArea	299.74
Relative PSA	0.18139
PolarSurfaceArea	67.43
Druglikeness	-0.5065
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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