Mol Weight - 299.349
Smiles - Cc(cc1)ccc1S(n1c(cccc2)c2c(C=O)c1)(=O)=O
| Property Name | Property Value |
| Mol Name | 1-tosyl-1H-indole-3-carbaldehyde |
| Molweight | 299.349 |
| Monoisotopic Mass | 299.061614 |
| Clogp | 2.2274 |
| Clogs | -6.308 |
| H Acceptors | 4 |
| Total Surface Area | 217.2 |
| Relative Psa | 0.22325 |
| Polar Surface Area | 64.52 |
| Druglikeness | -6.4545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.52381 |
| Molecular Flexibility | 0.42128 |
| Molecular Complexity | 0.85194 |
| Fragments | 1 |
| Non H Atoms | 21 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 3 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc(cc1)ccc1S(n1c(cccc2)c2c(C=O)c1)(=O)=O |
| InChIKey | InChI=1S/C16H13NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17/h2-11H,1H3 |
| InChI | OIPHRFQIBIQGJF-UHFFFAOYSA-N |
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1 — 1-tosyl-1H-indole-3-carbaldehyde | 2 — 1-tosyl-1H-indole-3-carbaldehyde