(1S)-1-[(1R)-1H-inden-1-yl]-1H-indene
PubChem CID: 12672313
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S)-1-[(1R)-1H-inden-1-yl]-1H-indene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C18H14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZAVVHRVOIITHB-HDICACEKSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.496 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.149 |
| Compound Name | (1S)-1-[(1R)-1H-inden-1-yl]-1H-indene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.11 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.706655333333333 |
| Inchi | InChI=1S/C18H14/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-12,17-18H/t17-,18+ |
| Smiles | C1=CC=C2[C@H](C=CC2=C1)[C@@H]3C=CC4=CC=CC=C34 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Japonica (Plant) Rel Props:Source_db:cmaup_ingredients