2-hydroxy-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H17N3O5 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(c(cccc3)c3O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C21H17N3O5/c25-20-4-2-1-3-19(20)21(26)23-22-13-15-7-11-18(12-8-15)29-14-16-5-9-17(10-6-16)24(27)28/h1-13,25H,14H2,(H,23,26) |
| InChIK | AONPQBPSXQBWRD-UHFFFAOYSA-N |
| TotalMolweight | 391.382 |
| Molweight | 391.382 |
| MonoisotopicMass | 391.116822 |
| CLogP | 3.2824 |
| CLogS | -5.226 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 300.53 |
| Relative PSA | 0.29791 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -1.1176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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