2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
Formula:C20H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N3O4 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c1cc(Oc2ccccc2)ccc1)=O)=O |
| InChI | InChI=1S/C20H15N3O4/c24-20(18-11-4-5-12-19(18)23(25)26)22-21-14-15-7-6-10-17(13-15)27-16-8-2-1-3-9-16/h1-14H,(H,22,24) |
| InChIK | NWUPYVHWUNQLNB-UHFFFAOYSA-N |
| TotalMolweight | 361.356 |
| Molweight | 361.356 |
| MonoisotopicMass | 361.106257 |
| CLogP | 3.6756 |
| CLogS | -6.478 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.42 |
| Relative PSA | 0.27256 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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