(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]prop-2-enoate
Formula:C13H8NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-(2,5-dioxopyrrol-1-yl)phenyl]prop-2-enoate |
| MolecularFormula | C13H8NO4 |
| Smiles | [O-]C(/C=C/c1cccc(N(C(C=C2)=O)C2=O)c1)=O |
| InChI | InChI=1S/C13H9NO4/c15-11-5-6-12(16)14(11)10-3-1-2-9(8-10)4-7-13(17)18/h1-8H,(H,17,18)/p-1 |
| InChIK | DKXPBFNKTVUWCP-UHFFFAOYSA-M |
| TotalMolweight | 242.21 |
| Molweight | 242.21 |
| MonoisotopicMass | 242.045334 |
| CLogP | -1.5189 |
| CLogS | -2.457 |
| H Acceptors | 5 |
| TotalSurfaceArea | 183.84 |
| Relative PSA | 0.30978 |
| PolarSurfaceArea | 77.51 |
| Druglikeness | -5.4698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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