N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C26H19N3O4I2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C26H19N3O4I2 |
| Smiles | [O-][N+](c1ccc(COc(c(I)cc(/C=N\NC(Cc2cccc3ccccc23)=O)c2)c2I)cc1)=O |
| InChI | InChI=1S/C26H19I2N3O4/c27-23-12-18(13-24(28)26(23)35-16-17-8-10-21(11-9-17)31(33)34)15-29-30-25(32)14-20-6-3-5-19-4-1-2-7-22(19)20/h1-13,15H,14,16H2,(H,30,32) |
| InChIK | BCTFWKSWWSPZNN-UHFFFAOYSA-N |
| TotalMolweight | 691.254 |
| Molweight | 691.254 |
| MonoisotopicMass | 690.946503 |
| CLogP | 5.6948 |
| CLogS | -9.125 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 395.1 |
| Relative PSA | 0.19344 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.62658 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off