N-[(Z)-benzylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C18H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C18H15N3O |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H15N3O/c22-18(20-19-14-15-8-2-1-3-9-15)16-10-4-5-11-17(16)21-12-6-7-13-21/h1-14H,(H,20,22) |
| InChIK | UYMQMFQASGMZKF-UHFFFAOYSA-N |
| TotalMolweight | 289.337 |
| Molweight | 289.337 |
| MonoisotopicMass | 289.121512 |
| CLogP | 3.3865 |
| CLogS | -6.034 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.95 |
| Relative PSA | 0.18173 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.0948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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 - N-[(Z)-benzylideneamino]-2-pyrrol-1-ylbenzamide | 2 - N-[(Z)-benzylideneamino]-2-pyrrol-1-ylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off