8-hydroxy-3-methyl-7-propan-2-yl-1H-benzo[cd]indol-2-one
PubChem CID: 10847692
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| Topological Polar Surface Area | 49.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-3-methyl-7-propan-2-yl-1H-benzo[cd]indol-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C15H15NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OHUGIXFKJDHURL-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.875 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.027 |
| Compound Name | 8-hydroxy-3-methyl-7-propan-2-yl-1H-benzo[cd]indol-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 241.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 241.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.144409111111111 |
| Inchi | InChI=1S/C15H15NO2/c1-7(2)10-6-9-5-4-8(3)11-12(9)13(14(10)17)16-15(11)18/h4-7,17H,1-3H3,(H,16,18) |
| Smiles | CC1=C2C3=C(C(=C(C=C3C=C1)C(C)C)O)NC2=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Source_db:cmaup_ingredients