(2E,4E)-2-benzamido-5-(furan-2-yl)penta-2,4-dienoic acid
Formula:C16H13NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-2-benzamido-5-(furan-2-yl)penta-2,4-dienoic acid is a drug-like molecule.
| MolName | (2E,4E)-2-benzamido-5-(furan-2-yl)penta-2,4-dienoic acid |
| MolecularFormula | C16H13NO4 |
| Smiles | OC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccco1)=O |
| InChI | InChI=1S/C16H13NO4/c18-15(12-6-2-1-3-7-12)17-14(16(19)20)10-4-8-13-9-5-11-21-13/h1-11H,(H,17,18)(H,19,20) |
| InChIK | WMRRLQNZJMTUTG-UHFFFAOYSA-N |
| TotalMolweight | 283.282 |
| Molweight | 283.282 |
| MonoisotopicMass | 283.084459 |
| CLogP | 2.6067 |
| CLogS | -3.368 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.23 |
| Relative PSA | 0.28495 |
| PolarSurfaceArea | 79.54 |
| Druglikeness | -0.37153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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