Chemical Name - Phthalazine
Mol Weight - 130.15
Smiles - c1ccc(cnnc2)c2c1
InChI - LFSXCDWNBUNEEM-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
Mol Weight - 130.15
Smiles - c1ccc(cnnc2)c2c1
InChI - LFSXCDWNBUNEEM-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
| Property Value | |
| Mol Name | Phthalazine |
| Molweight | 130.15 |
| Monoisotopic Mass | 130.053098 |
| Clogp | 1.0242 |
| Clogs | -1.976 |
| H Acceptors | 2 |
| Total Surface Area | 105.38 |
| Relative Psa | 0.2082 |
| Polar Surface Area | 25.78 |
| Druglikeness | -1.8447 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.63561 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Symmetric Atoms | 5 |
| Aromatic Nitrogens | 2 |
| Smiles | c1ccc(cnnc2)c2c1 |
| InChIKey | InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H |
| InChI | LFSXCDWNBUNEEM-UHFFFAOYSA-N |
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1 - Phthalazine
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