(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenylpyrrol-2-yl)prop-2-enamide
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenylpyrrol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenylpyrrol-2-yl)prop-2-enamide |
| MolecularFormula | C19H15N3O2 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C19H15N3O2/c20-13-15(19(23)21-14-18-9-5-11-24-18)12-17-8-4-10-22(17)16-6-2-1-3-7-16/h1-12H,14H2,(H,21,23) |
| InChIK | CMNDFTBCSVRMOP-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 2.1253 |
| CLogS | -5.605 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.06 |
| Relative PSA | 0.22615 |
| PolarSurfaceArea | 70.96 |
| Druglikeness | -0.7236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenylpyrrol-2-yl)prop-2-enamide | 2 - (E)-2-cyano-N-(furan-2-ylmethyl)-3-(1-phenylpyrrol-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off