Mol Weight - 278.137
Smiles - O=C(Cc1c2cccc1)N2c(c(Cl)ccc1)c1Cl
InChI - JCICIFOYVSPMHG-UHFFFAOYSA-N
InChIKey - InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2
| Property Name | Property Value |
| Mol Name | 1-(2,6-Dichlorophenyl)-2-Indolinone |
| Molweight | 278.137 |
| Monoisotopic Mass | 277.006118 |
| Clogp | 4.1557 |
| Clogs | -5.475 |
| H Acceptors | 2 |
| Total Surface Area | 192.17 |
| Relative Psa | 0.08633 |
| Polar Surface Area | 20.31 |
| Druglikeness | 1.5053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.25065 |
| Molecular Complexity | 0.84284 |
| Fragments | 1 |
| Non H Atoms | 18 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 3 |
| Amides | 1 |
| Smiles | O=C(Cc1c2cccc1)N2c(c(Cl)ccc1)c1Cl |
| InChIKey | InChI=1S/C14H9Cl2NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(17)18/h1-7H,8H2 |
| InChI | JCICIFOYVSPMHG-UHFFFAOYSA-N |
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1 — 1-(2,6-Dichlorophenyl)-2-Indolinone | 2 — 1-(2,6-Dichlorophenyl)-2-Indolinone