2-hydroxy-1-(2-hydroxy-3-methylbut-3-enyl)-9H-carbazole-3-carbaldehyde
PubChem CID: 15550284
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| Topological Polar Surface Area | 73.3 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-1-(2-hydroxy-3-methylbut-3-enyl)-9H-carbazole-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GEKIEZSVUGDIBH-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.882 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.743 |
| Compound Name | 2-hydroxy-1-(2-hydroxy-3-methylbut-3-enyl)-9H-carbazole-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 295.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.313968327272727 |
| Inchi | InChI=1S/C18H17NO3/c1-10(2)16(21)8-14-17-13(7-11(9-20)18(14)22)12-5-3-4-6-15(12)19-17/h3-7,9,16,19,21-22H,1,8H2,2H3 |
| Smiles | CC(=C)C(CC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Excavata (Plant) Rel Props:Source_db:cmaup_ingredients