2-naphthalen-1-yl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Formula:C23H18N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H18N4O3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N/NC(Cc2cccc3ccccc23)=O)ccc1)=O |
| InChI | InChI=1S/C23H18N4O3/c28-23(15-18-7-3-6-17-5-1-2-9-22(17)18)25-24-16-21-8-4-14-26(21)19-10-12-20(13-11-19)27(29)30/h1-14,16H,15H2,(H,25,28) |
| InChIK | UEJMMIVEHYCWEM-UHFFFAOYSA-N |
| TotalMolweight | 398.421 |
| Molweight | 398.421 |
| MonoisotopicMass | 398.137891 |
| CLogP | 3.7114 |
| CLogS | -8.089 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 307.98 |
| Relative PSA | 0.238 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 0.32897 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-naphthalen-1-yl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide | 2 - 2-naphthalen-1-yl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off