N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide
Formula:C25H19N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C25H19N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cccc1)c1OCc1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C25H19N3O4/c29-25(19-12-14-22(15-13-19)28(30)31)27-26-16-20-7-2-4-11-24(20)32-17-21-9-5-8-18-6-1-3-10-23(18)21/h1-16H,17H2,(H,27,29) |
| InChIK | QAXJHSPPBJZDMU-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.8225 |
| CLogS | -7.128 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 328.78 |
| Relative PSA | 0.23247 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.1157 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off