Chemical Name - L-isoleucine
Mol Weight - 131.174
Smiles - CC[C@H](C)[C@@H](C(O)=O)N
Mol Weight - 131.174
Smiles - CC[C@H](C)[C@@H](C(O)=O)N
| Property Value | |
| Mol Name | L-isoleucine |
| Molweight | 131.174 |
| Monoisotopic Mass | 131.094629 |
| Clogp | -1.864 |
| Clogs | -1.106 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 109.4 |
| Relative Psa | 0.37852 |
| Polar Surface Area | 63.32 |
| Druglikeness | -10.908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.79616 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 2 |
| Rotatable Bonds | 3 |
| Sp3 Atoms | 7 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | CC[C@H](C)[C@@H](C(O)=O)N |
| InChIKey | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 |
| InChI | AGPKZVBTJJNPAG-WHFBIAKZSA-N |
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