2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
Formula:C12H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide |
| MolecularFormula | C12H11N3O3 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C/[N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C12H11N3O3/c13-12(16)8-14-7-9(5-6-15(17)18)10-3-1-2-4-11(10)14/h1-7H,8H2,(H2,13,16) |
| InChIK | YYXMZJQPWILXHU-UHFFFAOYSA-N |
| TotalMolweight | 245.237 |
| Molweight | 245.237 |
| MonoisotopicMass | 245.080042 |
| CLogP | -0.4761 |
| CLogS | -2.37 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 187.26 |
| Relative PSA | 0.35032 |
| PolarSurfaceArea | 93.84 |
| Druglikeness | -1.8394 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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