2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C16H11N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C16H11N4O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(c2c[nH]c3c2cccc3)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C16H12N4O4/c21-15-6-5-11(20(23)24)7-10(15)8-18-19-16(22)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,21H,(H,19,22)/p-1 |
| InChIK | ADBBSOYEJZICJG-UHFFFAOYSA-M |
| TotalMolweight | 323.287 |
| Molweight | 323.287 |
| MonoisotopicMass | 323.078031 |
| CLogP | 0.3957 |
| CLogS | -4.41 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 242.36 |
| Relative PSA | 0.39074 |
| PolarSurfaceArea | 126.13 |
| Druglikeness | 0.29662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]-4-nitrophenolate
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