N-[(Z)-(4-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C27H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C27H21N3O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2ccc(COc(cccc3)c3-c3ccccc3)cc2)=O)cc1)=O |
| InChI | InChI=1S/C27H21N3O4/c31-27(29-28-18-20-12-16-24(17-13-20)30(32)33)23-14-10-21(11-15-23)19-34-26-9-5-4-8-25(26)22-6-2-1-3-7-22/h1-18H,19H2,(H,29,31) |
| InChIK | JGTZCEUJIACVTN-UHFFFAOYSA-N |
| TotalMolweight | 451.481 |
| Molweight | 451.481 |
| MonoisotopicMass | 451.153207 |
| CLogP | 5.2873 |
| CLogS | -7.608 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 353.94 |
| Relative PSA | 0.21594 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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