2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide |
| MolecularFormula | C15H13N3O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(C(c2ccccc2)O)=O)cccc1)=O |
| InChI | InChI=1S/C15H13N3O4/c19-14(11-6-2-1-3-7-11)15(20)17-16-10-12-8-4-5-9-13(12)18(21)22/h1-10,14,19H,(H,17,20)/t14-/m1/s1 |
| InChIK | XMFBOTNBCGFJPK-CQSZACIVSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 1.208 |
| CLogS | -3.598 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 229.51 |
| Relative PSA | 0.34652 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | 0.032798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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