2-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenoxy]acetic acid
Formula:C23H17NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenoxy]acetic acid |
| MolecularFormula | C23H17NO4 |
| Smiles | OC(COc1ccc(/C=C/c2nc(cc(cc3)-c4ccccc4)c3o2)cc1)=O |
| InChI | InChI=1S/C23H17NO4/c25-23(26)15-27-19-10-6-16(7-11-19)8-13-22-24-20-14-18(9-12-21(20)28-22)17-4-2-1-3-5-17/h1-14H,15H2,(H,25,26) |
| InChIK | AXPLIQRGKWYNOZ-UHFFFAOYSA-N |
| TotalMolweight | 371.391 |
| Molweight | 371.391 |
| MonoisotopicMass | 371.115759 |
| CLogP | 4.4871 |
| CLogS | -5.76 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.19 |
| Relative PSA | 0.21097 |
| PolarSurfaceArea | 72.56 |
| Druglikeness | 0.1145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenoxy]acetic acid
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