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C23H17NO3 | Cheminformatics

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

Molecular 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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