5-chloro-N-[(Z)-(5-pyrrolidin-1-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C18H16N3O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-chloro-N-[(Z)-(5-pyrrolidin-1-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-(5-pyrrolidin-1-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C18H16N3O3Cl |
| Smiles | O=C(c1cc(cc(cc2)Cl)c2o1)N/N=C\c1ccc(N2CCCC2)o1 |
| InChI | InChI=1S/C18H16ClN3O3/c19-13-3-5-15-12(9-13)10-16(25-15)18(23)21-20-11-14-4-6-17(24-14)22-7-1-2-8-22/h3-6,9-11H,1-2,7-8H2,(H,21,23) |
| InChIK | ZYDPINKYSDPSLO-UHFFFAOYSA-N |
| TotalMolweight | 357.796 |
| Molweight | 357.796 |
| MonoisotopicMass | 357.088019 |
| CLogP | 4.3443 |
| CLogS | -6.569 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 268.23 |
| Relative PSA | 0.25269 |
| PolarSurfaceArea | 70.98 |
| Druglikeness | 7.9538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-chloro-N-[(Z)-(5-pyrrolidin-1-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide | 2 - 5-chloro-N-[(Z)-(5-pyrrolidin-1-ylfuran-2-yl)methylideneamino]-1-benzofuran-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off