Chemical Name - Benzylamine
Mol Weight - 107.155
Smiles - NCc1ccccc1
Mol Weight - 107.155
Smiles - NCc1ccccc1
| Property Value | |
| Mol Name | Benzylamine |
| Molweight | 107.155 |
| Monoisotopic Mass | 107.073499 |
| Clogp | 0.6645 |
| Clogs | -1.576 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 95.54 |
| Relative Psa | 0.15983 |
| Polar Surface Area | 26.02 |
| Druglikeness | -2.0712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.30873 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NCc1ccccc1 |
| InChIKey | InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2 |
| InChI | WGQKYBSKWIADBV-UHFFFAOYSA-N |
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1 - Benzylamine
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