1H-Indole, 3,6-bis(3-methyl-2-butenyl)-
PubChem CID: 10060835
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| Compound Synonyms | 1H-Indole, 3,6-bis(3-methyl-2-butenyl)-, 73618-54-9, DTXSID60434983, 3,6-bis(3-methylbut-2-enyl)-1H-indole, DTXCID00385809 |
|---|---|
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-bis(3-methylbut-2-enyl)-1H-indole |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C18H23N |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTGWNARXEPOAPV-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.963 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.655 |
| Compound Name | 1H-Indole, 3,6-bis(3-methyl-2-butenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 253.183 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 253.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.214538115789473 |
| Inchi | InChI=1S/C18H23N/c1-13(2)5-7-15-8-10-17-16(9-6-14(3)4)12-19-18(17)11-15/h5-6,8,10-12,19H,7,9H2,1-4H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1)C(=CN2)CC=C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients