Chemical Name - 4-Chloro Resorcinol
Mol Weight - 144.557
Smiles - Oc(cc1)cc(O)c1Cl
InChI - JQVAPEJNIZULEK-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
Mol Weight - 144.557
Smiles - Oc(cc1)cc(O)c1Cl
InChI - JQVAPEJNIZULEK-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
| Property Value | |
| Mol Name | 4-Chloro Resorcinol |
| Molweight | 144.557 |
| Monoisotopic Mass | 143.997807 |
| Clogp | 1.5742 |
| Clogs | -1.76 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 101.38 |
| Relative Psa | 0.25843 |
| Polar Surface Area | 40.46 |
| Druglikeness | -2.05 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | Oc(cc1)cc(O)c1Cl |
| InChIKey | InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H |
| InChI | JQVAPEJNIZULEK-UHFFFAOYSA-N |
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