(E)-4-[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]-4-oxobut-2-enoate
Formula:C19H12N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]-4-oxobut-2-enoate |
| MolecularFormula | C19H12N3O6 |
| Smiles | [O-]C(/C=C/C(Nc1cccc(C(NN(C(c2c3cccc2)=O)C3=O)=O)c1)=O)=O |
| InChI | InChI=1S/C19H13N3O6/c23-15(8-9-16(24)25)20-12-5-3-4-11(10-12)17(26)21-22-18(27)13-6-1-2-7-14(13)19(22)28/h1-10H,(H,20,23)(H,21,26)(H,24,25)/p-1 |
| InChIK | WOSCWCPEGPGBCK-UHFFFAOYSA-M |
| TotalMolweight | 378.319 |
| Molweight | 378.319 |
| MonoisotopicMass | 378.072612 |
| CLogP | -1.9243 |
| CLogS | -3.3 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 275.52 |
| Relative PSA | 0.38455 |
| PolarSurfaceArea | 135.71 |
| Druglikeness | 2.119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]-4-oxobut-2-enoate | 2 - (E)-4-[3-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]-4-oxobut-2-enoate
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