Mol Weight - 162.148
Smiles - OC(n1c(cccc2)c2nc1)=O
| Property Name | Property Value |
| Mol Name | 1H-benzo[d]imidazole-1-carboxylicacid |
| Molweight | 162.148 |
| Monoisotopic Mass | 162.042928 |
| Clogp | 1.279 |
| Clogs | -2.133 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 119.92 |
| Relative Psa | 0.36674 |
| Polar Surface Area | 55.12 |
| Druglikeness | 1.5979 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.22747 |
| Molecular Complexity | 0.74239 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(n1c(cccc2)c2nc1)=O |
| InChIKey | InChI=1S/C8H6N2O2/c11-8(12)10-5-9-6-3-1-2-4-7(6)10/h1-5H,(H,11,12) |
| InChI | MJABXZWILYUAEB-UHFFFAOYSA-N |
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1 — 1H-benzo[d]imidazole-1-carboxylicacid | 2 — 1H-benzo[d]imidazole-1-carboxylicacid