dinaphthalen-1-yl (E)-but-2-enedioate
Formula:C24H16O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dinaphthalen-1-yl (E)-but-2-enedioate is not a drug-like molecule.
| MolName | dinaphthalen-1-yl (E)-but-2-enedioate |
| MolecularFormula | C24H16O4 |
| Smiles | O=C(/C=C/C(Oc1cccc2ccccc12)=O)Oc1cccc2ccccc12 |
| InChI | InChI=1S/C24H16O4/c25-23(27-21-13-5-9-17-7-1-3-11-19(17)21)15-16-24(26)28-22-14-6-10-18-8-2-4-12-20(18)22/h1-16H |
| InChIK | RFNWEPPOTCGGNE-UHFFFAOYSA-N |
| TotalMolweight | 368.387 |
| Molweight | 368.387 |
| MonoisotopicMass | 368.10486 |
| CLogP | 5.3608 |
| CLogS | -6.372 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.22 |
| Relative PSA | 0.16213 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -6.874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 14 |
| StereoCon |
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