(E)-N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
Formula:C26H21NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C26H21NO2 |
| Smiles | O=C(/C=C/c1ccco1)NC(c1ccccc1)c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C26H21NO2/c28-24(16-14-21-9-5-17-29-21)27-26(20-6-2-1-3-7-20)23-15-13-19-12-11-18-8-4-10-22(23)25(18)19/h1-10,13-17,26H,11-12H2,(H,27,28)/t26-/m0/s1 |
| InChIK | DPJOSLIUBBNYMU-SANMLTNESA-N |
| TotalMolweight | 379.458 |
| Molweight | 379.458 |
| MonoisotopicMass | 379.157229 |
| CLogP | 5.4174 |
| CLogS | -6.414 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 299.3 |
| Relative PSA | 0.129 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -0.63349 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[1,2-dihydroacenaphthylen-5-yl(phenyl)methyl]-3-(furan-2-yl)prop-2-enamide
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