Chemical Name - 3-Bromobenzylamine
Mol Weight - 186.052
Smiles - NCc1cccc(Br)c1
Mol Weight - 186.052
Smiles - NCc1cccc(Br)c1
| Property Value | |
| Mol Name | 3-Bromobenzylamine |
| Molweight | 186.052 |
| Monoisotopic Mass | 184.98401 |
| Clogp | 1.3897 |
| Clogs | -2.41 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 114.17 |
| Relative Psa | 0.13375 |
| Polar Surface Area | 26.02 |
| Druglikeness | -3.8612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.28257 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NCc1cccc(Br)c1 |
| InChIKey | InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChI | SUYJXERPRICYRX-UHFFFAOYSA-N |
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1 - 3-Bromobenzylamine
2 - 3-Bromobenzylamine
1 - 3-Bromobenzylamine
2 - 3-Bromobenzylamine
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