Chemical Name - Benzoic acid
Mol Weight - 122.123
Smiles - OC(c1ccccc1)=O
Mol Weight - 122.123
Smiles - OC(c1ccccc1)=O
| Property Value | |
| Mol Name | Benzoic acid |
| Molweight | 122.123 |
| Monoisotopic Mass | 122.03678 |
| Clogp | 1.1447 |
| Clogs | -1.629 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 97.36 |
| Relative Psa | 0.26849 |
| Polar Surface Area | 37.3 |
| Druglikeness | -1.8442 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1ccccc1)=O |
| InChIKey | |
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1 - Benzoic acid
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