Chemical Name - Hippuric Acid
Mol Weight - 179.174
Smiles - OC(CNC(c1ccccc1)=O)=O
Mol Weight - 179.174
Smiles - OC(CNC(c1ccccc1)=O)=O
| Property Value | |
| Mol Name | Hippuric Acid |
| Molweight | 179.174 |
| Monoisotopic Mass | 179.058244 |
| Clogp | 0.2284 |
| Clogs | -1.396 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 140.33 |
| Relative Psa | 0.36086 |
| Polar Surface Area | 66.4 |
| Druglikeness | -3.5747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.54451 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(CNC(c1ccccc1)=O)=O |
| InChIKey | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChI | QIAFMBKCNZACKA-UHFFFAOYSA-N |
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1 - Hippuric Acid
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2 - Hippuric Acid
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