[[(E)-3-phenylprop-2-enoyl]amino] (E)-3-phenylprop-2-enoate
Formula:C18H15NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[[(E)-3-phenylprop-2-enoyl]amino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [[(E)-3-phenylprop-2-enoyl]amino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C18H15NO3 |
| Smiles | O=C(/C=C/c1ccccc1)NOC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C18H15NO3/c20-17(13-11-15-7-3-1-4-8-15)19-22-18(21)14-12-16-9-5-2-6-10-16/h1-14H,(H,19,20) |
| InChIK | BDNJZOLJYVBEHO-UHFFFAOYSA-N |
| TotalMolweight | 293.321 |
| Molweight | 293.321 |
| MonoisotopicMass | 293.105194 |
| CLogP | 2.9925 |
| CLogS | -4.1 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.98 |
| Relative PSA | 0.19565 |
| PolarSurfaceArea | 55.4 |
| Druglikeness | -5.8511 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | N-acyloxy-amide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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