(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]prop-2-enoate
Formula:C17H14NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]prop-2-enoate |
| MolecularFormula | C17H14NO4 |
| Smiles | [O-]C(/C=C/c(cccc1)c1OCC(Nc1ccccc1)=O)=O |
| InChI | InChI=1S/C17H15NO4/c19-16(18-14-7-2-1-3-8-14)12-22-15-9-5-4-6-13(15)10-11-17(20)21/h1-11H,12H2,(H,18,19)(H,20,21)/p-1 |
| InChIK | FYAWQQWRIAEZMX-UHFFFAOYSA-M |
| TotalMolweight | 296.301 |
| Molweight | 296.301 |
| MonoisotopicMass | 296.092284 |
| CLogP | 0.1203 |
| CLogS | -3.291 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.77 |
| Relative PSA | 0.26 |
| PolarSurfaceArea | 78.46 |
| Druglikeness | 1.4313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]prop-2-enoate | 2 - (E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]prop-2-enoate
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