Chemical Name - Heptanoic Acid
Mol Weight - 130.186
Smiles - CCCCCCC(O)=O
Mol Weight - 130.186
Smiles - CCCCCCC(O)=O
| Property Value | |
| Mol Name | Heptanoic Acid |
| Molweight | 130.186 |
| Monoisotopic Mass | 130.09938 |
| Clogp | 1.9729 |
| Clogs | -1.809 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 118.66 |
| Relative Psa | 0.22029 |
| Polar Surface Area | 37.3 |
| Druglikeness | -22.436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.88889 |
| Molecular Flexibility | 0.59623 |
| Molecular Complexity | 0.44794 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 7 |
| Acidic Oxygens | 1 |
| Smiles | CCCCCCC(O)=O |
| InChIKey | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChI | MNWFXJYAOYHMED-UHFFFAOYSA-N |
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