2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-phenyl-1,3-benzoxazole

Formula:C23H17NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-phenyl-1,3-benzoxazole is not a drug-like molecule.

MolName	2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-phenyl-1,3-benzoxazole
MolecularFormula	C23H17NO3
Smiles	C1Oc(ccc(/C=C/c2nc(cc(cc3)-c4ccccc4)c3o2)c2)c2OC1
InChI	InChI=1S/C23H17NO3/c1-2-4-17(5-3-1)18-8-10-20-19(15-18)24-23(27-20)11-7-16-6-9-21-22(14-16)26-13-12-25-21/h1-11,14-15H,12-13H2
InChIK	XXQYBLLUDZGULP-UHFFFAOYSA-N
TotalMolweight	355.392
Molweight	355.392
MonoisotopicMass	355.120844
CLogP	5.4059
CLogS	-6.149
H Acceptors	4
TotalSurfaceArea	276.35
Relative PSA	0.16313
PolarSurfaceArea	44.49
Druglikeness	-7.6425
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-phenyl-1,3-benzoxazole | 2 - 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-phenyl-1,3-benzoxazole

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