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 : |