Chemical Name - 4-Chloro-m-cresol
Mol Weight - 142.585
Smiles - Cc(cc(cc1)O)c1Cl
Mol Weight - 142.585
Smiles - Cc(cc(cc1)O)c1Cl
| Property Value | |
| Mol Name | 4-Chloro-m-cresol |
| Molweight | 142.585 |
| Monoisotopic Mass | 142.018542 |
| Clogp | 2.2638 |
| Clogs | -2.4 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 107.29 |
| Relative Psa | 0.1221 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.0981 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | Cc(cc(cc1)O)c1Cl |
| InChIKey | InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3 |
| InChI | CFKMVGJGLGKFKI-UHFFFAOYSA-N |
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