Chemical Name - Isonipecotamide
Mol Weight - 128.174
Smiles - NC(C1CCNCC1)=O
Mol Weight - 128.174
Smiles - NC(C1CCNCC1)=O
| Property Value | |
| Mol Name | Isonipecotamide |
| Molweight | 128.174 |
| Monoisotopic Mass | 128.094963 |
| Clogp | -0.6603 |
| Clogs | -0.836 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 105.27 |
| Relative Psa | 0.37779 |
| Polar Surface Area | 55.12 |
| Druglikeness | 2.5511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.26374 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NC(C1CCNCC1)=O |
| InChIKey | InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9) |
| InChI | DPBWFNDFMCCGGJ-UHFFFAOYSA-N |
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