N-(3-nitrophenyl)-2-[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide
Formula:C21H17N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-nitrophenyl)-2-[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide is not a drug-like molecule.
| MolName | N-(3-nitrophenyl)-2-[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C21H17N5O6 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)ccc1OCC(Nc1cccc([N+]([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C21H17N5O6/c27-21(23-17-2-1-3-19(12-17)26(30)31)14-32-20-10-4-15(5-11-20)13-22-24-16-6-8-18(9-7-16)25(28)29/h1-13,24H,14H2,(H,23,27) |
| InChIK | VODVXKQXYMGADN-UHFFFAOYSA-N |
| TotalMolweight | 435.395 |
| Molweight | 435.395 |
| MonoisotopicMass | 435.117885 |
| CLogP | 3.7201 |
| CLogS | -5.361 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 329.31 |
| Relative PSA | 0.35927 |
| PolarSurfaceArea | 154.36 |
| Druglikeness | -1.9962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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