| MolName | (E)-3-naphthalen-1-yl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]prop-2-enamide |
| MolecularFormula | C32H24N2O2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)Nc(cc1)ccc1NC(/C=C/c1cccc2ccccc12)=O |
| InChI | InChI=1S/C32H24N2O2/c35-31(21-15-25-11-5-9-23-7-1-3-13-29(23)25)33-27-17-19-28(20-18-27)34-32(36)22-16-26-12-6-10-24-8-2-4-14-30(24)26/h1-22H,(H,33,35)(H,34,36) |
| InChIK | WSSRRZADHRBSFA-UHFFFAOYSA-N |
| TotalMolweight | 468.555 |
| Molweight | 468.555 |
| MonoisotopicMass | 468.183778 |
| CLogP | 7.0018 |
| CLogS | -8.592 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 373.4 |
| Relative PSA | 0.13123 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.43887 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 19 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-naphthalen-1-yl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]prop-2-enamide | 2 - (E)-3-naphthalen-1-yl-N-[4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]prop-2-enamide