2-[2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethylidene]propane-1,3-diol
PubChem CID: 102442725
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| Topological Polar Surface Area | 56.3 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethylidene]propane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KYRRXOVGYOKMQX-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.203 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.87 |
| Compound Name | 2-[2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethylidene]propane-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 285.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 285.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.672542257142857 |
| Inchi | InChI=1S/C18H23NO2/c1-13(2)6-8-15-4-3-5-17-16(10-19-18(15)17)9-7-14(11-20)12-21/h3-7,10,19-21H,8-9,11-12H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=CC=C1)C(=CN2)CC=C(CO)CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients