(3Z)-3-[(4-hydroxyphenyl)methylidene]-4H-cyclopenta[b]indole-1,2-dione
PubChem CID: 21592416
Connections displayed (default: 10).
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| Topological Polar Surface Area | 70.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-3-[(4-hydroxyphenyl)methylidene]-4H-cyclopenta[b]indole-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FOJRFMGTQBVGNJ-LCYFTJDESA-N |
| Fcsp3 | 0.0 |
| Logs | -4.639 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.962 |
| Compound Name | (3Z)-3-[(4-hydroxyphenyl)methylidene]-4H-cyclopenta[b]indole-1,2-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 289.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 289.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8739434545454547 |
| Inchi | InChI=1S/C18H11NO3/c20-11-7-5-10(6-8-11)9-13-16-15(18(22)17(13)21)12-3-1-2-4-14(12)19-16/h1-9,19-20H/b13-9- |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)/C(=C/C4=CC=C(C=C4)O)/C(=O)C3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Nipponensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eriobotrya Deflexa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Neurolaena Lobata (Plant) Rel Props:Source_db:cmaup_ingredients