2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide |
| MolecularFormula | C18H15N3O3 |
| Smiles | [O-][N+](/C=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C18H15N3O3/c22-18(19-15-6-2-1-3-7-15)13-20-12-14(10-11-21(23)24)16-8-4-5-9-17(16)20/h1-12H,13H2,(H,19,22) |
| InChIK | ADXBIMIKLYJREK-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 1.5841 |
| CLogS | -3.793 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.96 |
| Relative PSA | 0.2472 |
| PolarSurfaceArea | 79.85 |
| Druglikeness | -1.6642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide | 2 - 2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide
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