Nauclexine
PubChem CID: 608079
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| Compound Synonyms | Nauclexine, VHXXSFCTDCAIPR-UHFFFAOYSA-N, 11H-6,10-Metheno[1,6]diazacyclotridecino[10,9-b]indol-11-one, 1,2,3,4,5,12-hexahydro-5-hydroxy- |
|---|---|
| Topological Polar Surface Area | 78.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-hydroxy-4,14,19-triazatetracyclo[15.3.1.03,11.05,10]henicosa-1(20),3(11),5,7,9,17(21),18-heptaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C18H17N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHXXSFCTDCAIPR-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.256 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.337 |
| Compound Name | Nauclexine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.132 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.132 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.173197295652174 |
| Inchi | InChI=1S/C18H17N3O2/c22-16-10-19-6-5-14-13-3-1-2-4-15(13)21-17(14)18(23)12-7-11(16)8-20-9-12/h1-4,7-9,16,19,21-22H,5-6,10H2 |
| Smiles | C1CNCC(C2=CC(=CN=C2)C(=O)C3=C1C4=CC=CC=C4N3)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nauclea Diderrichii (Plant) Rel Props:Source_db:cmaup_ingredients