Mol Weight - 174.202
Smiles - Nc1c(cc(CO)cc2)c2ccn1
| Property Name | Property Value |
| Mol Name | (1-Aminoisoquinolin-7-yl)methanol |
| Molweight | 174.202 |
| Monoisotopic Mass | 174.079313 |
| Clogp | 0.9299 |
| Clogs | -2.912 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 135.25 |
| Relative Psa | 0.29087 |
| Polar Surface Area | 59.14 |
| Druglikeness | -1.8773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.16448 |
| Molecular Complexity | 0.68629 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 1 |
| Smiles | Nc1c(cc(CO)cc2)c2ccn1 |
| InChIKey | InChI=1S/C10H10N2O/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-5,13H,6H2,(H2,11,12) |
| InChI | BRDJELCDPZJVIF-UHFFFAOYSA-N |
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1 — (1-Aminoisoquinolin-7-yl)methanol | 2 — (1-Aminoisoquinolin-7-yl)methanol