(E)-3-anthracen-9-yl-2-cyano-N-naphthalen-2-ylprop-2-enamide
Formula:C28H18N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-2-cyano-N-naphthalen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-2-cyano-N-naphthalen-2-ylprop-2-enamide |
| MolecularFormula | C28H18N2O |
| Smiles | N#C/C(/C(Nc1cc2ccccc2cc1)=O)=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H18N2O/c29-18-23(28(31)30-24-14-13-19-7-1-2-8-20(19)16-24)17-27-25-11-5-3-9-21(25)15-22-10-4-6-12-26(22)27/h1-17H,(H,30,31) |
| InChIK | PKJVUTBPWPBELR-UHFFFAOYSA-N |
| TotalMolweight | 398.464 |
| Molweight | 398.464 |
| MonoisotopicMass | 398.141913 |
| CLogP | 6.5715 |
| CLogS | -8.588 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.45 |
| Relative PSA | 0.12181 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.7589 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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