Chemical Name - PHTHALAMIDE
Mol Weight - 164.164
Smiles - NC(c(cccc1)c1C(N)=O)=O
Mol Weight - 164.164
Smiles - NC(c(cccc1)c1C(N)=O)=O
| Property Value | |
| Mol Name | PHTHALAMIDE |
| Molweight | 164.164 |
| Monoisotopic Mass | 164.058578 |
| Clogp | -0.1658 |
| Clogs | -1.794 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 125.8 |
| Relative Psa | 0.45008 |
| Polar Surface Area | 86.18 |
| Druglikeness | -0.67966 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.48392 |
| Molecular Complexity | 0.68239 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetric Atoms | 6 |
| Amides | 2 |
| Smiles | NC(c(cccc1)c1C(N)=O)=O |
| InChIKey | InChI=1S/C8H8N2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,(H2,9,11)(H2,10,12) |
| InChI | NAYYNDKKHOIIOD-UHFFFAOYSA-N |
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