2-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-1,3-benzothiazole

Formula:C29H23NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-1,3-benzothiazole is not a drug-like molecule.

MolName	2-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-1,3-benzothiazole
MolecularFormula	C29H23NO2S
Smiles	C(c1ccccc1)Oc(ccc(/C=C/c1nc(cccc2)c2s1)c1)c1OCc1ccccc1
InChI	InChI=1S/C29H23NO2S/c1-3-9-23(10-4-1)20-31-26-17-15-22(19-27(26)32-21-24-11-5-2-6-12-24)16-18-29-30-25-13-7-8-14-28(25)33-29/h1-19H,20-21H2
InChIK	JQPSJGCJJRSUDL-UHFFFAOYSA-N
TotalMolweight	449.573
Molweight	449.573
MonoisotopicMass	449.144949
CLogP	6.57
CLogS	-6.698
H Acceptors	3
TotalSurfaceArea	355.86
Relative PSA	0.14424
PolarSurfaceArea	59.59
Druglikeness	0.5343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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