Chemical Name - Isononanoyl Chloride
Mol Weight - 176.686
Smiles - CC(C)CCCCCC(Cl)=O
Mol Weight - 176.686
Smiles - CC(C)CCCCCC(Cl)=O
| Property Value | |
| Mol Name | Isononanoyl Chloride |
| Molweight | 176.686 |
| Monoisotopic Mass | 176.096792 |
| Clogp | 3.0275 |
| Clogs | -2.315 |
| H Acceptors | 1 |
| Total Surface Area | 152.49 |
| Relative Psa | 0.085514 |
| Polar Surface Area | 17.07 |
| Druglikeness | -32.887 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.58191 |
| Molecular Complexity | 0.38918 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)CCCCCC(Cl)=O |
| InChIKey | InChI=1S/C9H17ClO/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3 |
| InChI | GXIQQLXFFZDGHO-UHFFFAOYSA-N |
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1 - Isononanoyl Chloride
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