Chemical Name - Heliotropin
Mol Weight - 150.133
Smiles - O=Cc(cc1)cc2c1OCO2
Mol Weight - 150.133
Smiles - O=Cc(cc1)cc2c1OCO2
| Property Value | |
| Mol Name | Heliotropin |
| Molweight | 150.133 |
| Monoisotopic Mass | 150.031695 |
| Clogp | 1.7043 |
| Clogs | -2.651 |
| H Acceptors | 3 |
| Total Surface Area | 113.06 |
| Relative Psa | 0.29223 |
| Polar Surface Area | 35.53 |
| Druglikeness | -4.1785 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.23009 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Smiles | O=Cc(cc1)cc2c1OCO2 |
| InChIKey | InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 |
| InChI | SATCULPHIDQDRE-UHFFFAOYSA-N |
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