4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-nitrophenolate
Formula:C23H19N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-nitrophenolate is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-nitrophenolate |
| MolecularFormula | C23H19N4O5 |
| Smiles | [O-]c(ccc(/C=N\NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C23H20N4O5/c28-20-12-11-16(13-19(20)27(31)32)14-25-26-21(29)15-24-23(30)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22,28H,15H2,(H,24,30)(H,26,29)/p-1 |
| InChIK | PRJQSCYMVFMXNE-UHFFFAOYSA-M |
| TotalMolweight | 431.427 |
| Molweight | 431.427 |
| MonoisotopicMass | 431.135546 |
| CLogP | 0.9657 |
| CLogS | -4.766 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 333.42 |
| Relative PSA | 0.31555 |
| PolarSurfaceArea | 139.44 |
| Druglikeness | 1.2035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-nitrophenolate | 2 - 4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-nitrophenolate
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