(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-N-naphthalen-1-ylprop-2-enamide
Formula:C24H15N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-N-naphthalen-1-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-N-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C24H15N2O2Br |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C\c1ccc(-c(cccc2)c2Br)o1 |
| InChI | InChI=1S/C24H15BrN2O2/c25-21-10-4-3-9-20(21)23-13-12-18(29-23)14-17(15-26)24(28)27-22-11-5-7-16-6-1-2-8-19(16)22/h1-14H,(H,27,28) |
| InChIK | ZFHVTUZLZXNMLM-UHFFFAOYSA-N |
| TotalMolweight | 443.299 |
| Molweight | 443.299 |
| MonoisotopicMass | 442.031689 |
| CLogP | 5.8468 |
| CLogS | -7.67 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 311.33 |
| Relative PSA | 0.16757 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -2.5519 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-N-naphthalen-1-ylprop-2-enamide | 2 - (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-N-naphthalen-1-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off