N-[(Z)-[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C23H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C23H17N3O5 |
| Smiles | [O-][N+](c1cc(COc2c(/C=N\NC(c3cc(cccc4)c4o3)=O)cccc2)ccc1)=O |
| InChI | InChI=1S/C23H17N3O5/c27-23(22-13-17-7-1-4-11-21(17)31-22)25-24-14-18-8-2-3-10-20(18)30-15-16-6-5-9-19(12-16)26(28)29/h1-14H,15H2,(H,25,27) |
| InChIK | ZEOBXZJRYHDACH-UHFFFAOYSA-N |
| TotalMolweight | 415.404 |
| Molweight | 415.404 |
| MonoisotopicMass | 415.116822 |
| CLogP | 4.1337 |
| CLogS | -6.705 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 318.47 |
| Relative PSA | 0.2843 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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