Chemical Name - Nipecotic acid
Mol Weight - 129.158
Smiles - OC(C1CNCCC1)=O
Mol Weight - 129.158
Smiles - OC(C1CNCCC1)=O
| Property Value | |
| Mol Name | Nipecotic acid |
| Molweight | 129.158 |
| Monoisotopic Mass | 129.078979 |
| Clogp | -2.3259 |
| Clogs | -0.76 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 103.1 |
| Relative Psa | 0.36469 |
| Polar Surface Area | 49.33 |
| Druglikeness | -0.57306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.55791 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 7 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | OC(C1CNCCC1)=O |
| InChIKey | InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9) |
| InChI | XJLSEXAGTJCILF-UHFFFAOYSA-N |
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