N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C26H21N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C26H21N3O4 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cc2)ccc2OCc2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C26H21N3O4/c30-26(16-19-8-12-23(13-9-19)29(31)32)28-27-17-20-10-14-24(15-11-20)33-18-22-6-3-5-21-4-1-2-7-25(21)22/h1-15,17H,16,18H2,(H,28,30) |
| InChIK | RPWXSAVCKQNIEJ-UHFFFAOYSA-N |
| TotalMolweight | 439.47 |
| Molweight | 439.47 |
| MonoisotopicMass | 439.153207 |
| CLogP | 4.8206 |
| CLogS | -7.093 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 342.54 |
| Relative PSA | 0.22313 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0888 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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