Mol Weight - 170.171
Smiles - N#Cc1ccc(ccnc2O)c2c1
| Property Name | Property Value |
| Mol Name | 1-Hydroxyisoquinoline-7-carbonitrile |
| Molweight | 170.171 |
| Monoisotopic Mass | 170.048013 |
| Clogp | 1.6944 |
| Clogs | -3.429 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 134.68 |
| Relative Psa | 0.2794 |
| Polar Surface Area | 56.91 |
| Druglikeness | -6.0516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Complexity | 0.6909 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 1 |
| Smiles | N#Cc1ccc(ccnc2O)c2c1 |
| InChIKey | InChI=1S/C10H6N2O/c11-6-7-1-2-8-3-4-12-10(13)9(8)5-7/h1-5H,(H,12,13) |
| InChI | HGGJDPGZCATJNC-UHFFFAOYSA-N |
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1 — 1-Hydroxyisoquinoline-7-carbonitrile | 2 — 1-Hydroxyisoquinoline-7-carbonitrile