(E)-2-cyano-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-phenylprop-2-enamide
Formula:C27H20N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C27H20N2O2 |
| Smiles | N#C/C(/C(NC(c1ccccc1)c(c1ccccc1cc1)c1O)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C27H20N2O2/c28-18-22(17-19-9-3-1-4-10-19)27(31)29-26(21-12-5-2-6-13-21)25-23-14-8-7-11-20(23)15-16-24(25)30/h1-17,26,30H,(H,29,31)/t26-/m0/s1 |
| InChIK | BZLXRIGBLNGHQL-SANMLTNESA-N |
| TotalMolweight | 404.468 |
| Molweight | 404.468 |
| MonoisotopicMass | 404.152478 |
| CLogP | 5.2622 |
| CLogS | -6.156 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 321.86 |
| Relative PSA | 0.15895 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -1.2608 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-2-cyano-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-phenylprop-2-enamide | 2 - (E)-2-cyano-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-phenylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off