5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylic acid
Formula:C12H9NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylic acid is a drug-like molecule.
| MolName | 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylic acid |
| MolecularFormula | C12H9NO3 |
| Smiles | OC(c1noc(/C=C/c2ccccc2)c1)=O |
| InChI | InChI=1S/C12H9NO3/c14-12(15)11-8-10(16-13-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,14,15) |
| InChIK | CEAMVSIYTWUNCQ-UHFFFAOYSA-N |
| TotalMolweight | 215.207 |
| Molweight | 215.207 |
| MonoisotopicMass | 215.058244 |
| CLogP | 1.87 |
| CLogS | -2.91 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 172.07 |
| Relative PSA | 0.29767 |
| PolarSurfaceArea | 63.33 |
| Druglikeness | 1.7631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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