[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 8009-1450 |
| Compound Name: | [(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid |
| Molecular Weight: | 253.23 |
| Molecular Formula: | C9 H7 N3 O4 S |
| Smiles: | C(C(O)=O)Sc1nc2cc(ccc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9927 |
| logD: | -2.4512 |
| logSw: | -2.3073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.017 |
| InChI Key: | SMTHPGGRKWIUEJ-UHFFFAOYSA-N |