Mol Weight - 146.149
Smiles - O=Cn1c(cccc2)c2nc1
| Property Name | Property Value |
| Mol Name | Benzoimidazole-1-carbaldehyde |
| Molweight | 146.149 |
| Monoisotopic Mass | 146.048013 |
| Clogp | 1.5499 |
| Clogs | -1.76 |
| H Acceptors | 3 |
| Total Surface Area | 115.36 |
| Relative Psa | 0.26768 |
| Polar Surface Area | 34.89 |
| Druglikeness | 1.4572 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.21594 |
| Molecular Complexity | 0.70568 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Aromatic Nitrogens | 2 |
| Smiles | O=Cn1c(cccc2)c2nc1 |
| InChIKey | InChI=1S/C8H6N2O/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-6H |
| InChI | OVLBRKILZDEOMU-UHFFFAOYSA-N |
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1 — Benzoimidazole-1-carbaldehyde | 2 — Benzoimidazole-1-carbaldehyde