2-hydroxy-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
Formula:C22H18N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H18N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1NC(COc1ccc(/C=N\NC(c(cccc2)c2O)=O)cc1)=O)=O |
| InChI | InChI=1S/C22H18N4O6/c27-20-4-2-1-3-19(20)22(29)25-23-13-15-5-11-18(12-6-15)32-14-21(28)24-16-7-9-17(10-8-16)26(30)31/h1-13,27H,14H2,(H,24,28)(H,25,29) |
| InChIK | BDQXNFOOIXTMLS-UHFFFAOYSA-N |
| TotalMolweight | 434.407 |
| Molweight | 434.407 |
| MonoisotopicMass | 434.122636 |
| CLogP | 2.6567 |
| CLogS | -5.177 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 329.74 |
| Relative PSA | 0.34582 |
| PolarSurfaceArea | 145.84 |
| Druglikeness | -0.4392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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