4-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide
Formula:C18H14N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide |
| MolecularFormula | C18H14N3OF |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C18H14FN3O/c19-15-10-8-14(9-11-15)18(23)21-20-13-17-7-4-12-22(17)16-5-2-1-3-6-16/h1-13H,(H,21,23) |
| InChIK | RKAACXLJHIRTBS-UHFFFAOYSA-N |
| TotalMolweight | 307.327 |
| Molweight | 307.327 |
| MonoisotopicMass | 307.11209 |
| CLogP | 3.5413 |
| CLogS | -6.372 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.3 |
| Relative PSA | 0.17697 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.1264 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off