Chemical Name - Citral
Mol Weight - 152.236
Smiles - CC(C)=CCCC(C)=CC=O
Mol Weight - 152.236
Smiles - CC(C)=CCCC(C)=CC=O
| Property Value | |
| Mol Name | Citral |
| Molweight | 152.236 |
| Monoisotopic Mass | 152.120115 |
| Clogp | 3.273 |
| Clogs | -2.104 |
| H Acceptors | 1 |
| Total Surface Area | 146.76 |
| Relative Psa | 0.088853 |
| Polar Surface Area | 17.07 |
| Druglikeness | -7.3057 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.81818 |
| Molecular Flexibility | 0.63466 |
| Molecular Complexity | 0.46052 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)=CCCC(C)=CC=O |
| InChIKey | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 |
| InChI | WTEVQBCEXWBHNA-UHFFFAOYSA-N |
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