Chemical Name - Homoveratrylamine
Mol Weight - 181.234
Smiles - COc(ccc(CCN)c1)c1OC
Mol Weight - 181.234
Smiles - COc(ccc(CCN)c1)c1OC
| Property Value | |
| Mol Name | Homoveratrylamine |
| Molweight | 181.234 |
| Monoisotopic Mass | 181.110279 |
| Clogp | 0.9546 |
| Clogs | -1.724 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 153.82 |
| Relative Psa | 0.22929 |
| Polar Surface Area | 44.48 |
| Druglikeness | -1.9723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.46066 |
| Molecular Complexity | 0.67089 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | COc(ccc(CCN)c1)c1OC |
| InChIKey | InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3 |
| InChI | ANOUKFYBOAKOIR-UHFFFAOYSA-N |
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