2-naphthalen-1-yl-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide
Formula:C23H19N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide |
| MolecularFormula | C23H19N3O |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C23H19N3O/c27-23(16-19-10-6-9-18-8-4-5-14-22(18)19)25-24-17-21-13-7-15-26(21)20-11-2-1-3-12-20/h1-15,17H,16H2,(H,25,27) |
| InChIK | ONKADZXMMZNFDL-UHFFFAOYSA-N |
| TotalMolweight | 353.424 |
| Molweight | 353.424 |
| MonoisotopicMass | 353.152812 |
| CLogP | 4.633 |
| CLogS | -7.629 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.31 |
| Relative PSA | 0.15082 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.4273 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-naphthalen-1-yl-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide | 2 - 2-naphthalen-1-yl-N-[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off