Phaitanthrin C
PubChem CID: 24970644
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| Compound Synonyms | 7-hydroxytryptanthrin, PHAITANTHRIN C, 7-hydroxyindolo(2,1-b)quinazoline-6,12-dione, 7-hydroxyindolo[2,1-b]quinazoline-6,12-dione, CHEMBL452806, 1033722-04-1 |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxyindolo[2,1-b]quinazoline-6,12-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOQXYBJCORZEEE-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.811 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.113 |
| Compound Name | Phaitanthrin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.053 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5272879999999995 |
| Inchi | InChI=1S/C15H8N2O3/c18-11-7-3-6-10-12(11)13(19)14-16-9-5-2-1-4-8(9)15(20)17(10)14/h1-7,18H |
| Smiles | C1=CC=C2C(=C1)C(=O)N3C4=C(C(=CC=C4)O)C(=O)C3=N2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaius Mishmensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all