Phaitanthrin E
PubChem CID: 24970645
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| Compound Synonyms | PHAITANTHRIN E, methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate, methyl 12-oxo-5H-indolo(2,1-b)quinazoline-6-carboxylate, CHEMBL461718, 1033722-06-3 |
|---|---|
| Topological Polar Surface Area | 60.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 12-oxo-5H-indolo[2,1-b]quinazoline-6-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJEKGIWFCNGPHF-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -5.615 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.462 |
| Compound Name | Phaitanthrin E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.085 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.242040981818182 |
| Inchi | InChI=1S/C17H12N2O3/c1-22-17(21)14-11-7-3-5-9-13(11)19-15(14)18-12-8-4-2-6-10(12)16(19)20/h2-9,18H,1H3 |
| Smiles | COC(=O)C1=C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41 |
| 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