N-Isopentylcrinasiadine
PubChem CID: 71452577
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| Compound Synonyms | N-Isopentylcrinasiadine, 5-(3-methylbutyl)-(1,3)dioxolo(4,5-j)phenanthridin-6-one, 5-(3-methylbutyl)-[1,3]dioxolo[4,5-j]phenanthridin-6-one, CHEMBL2208200 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(3-methylbutyl)-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C19H19NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RICZHCMSXSXKCY-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.493 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.611 |
| Compound Name | N-Isopentylcrinasiadine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 309.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.494397782608695 |
| Inchi | InChI=1S/C19H19NO3/c1-12(2)7-8-20-16-6-4-3-5-13(16)14-9-17-18(23-11-22-17)10-15(14)19(20)21/h3-6,9-10,12H,7-8,11H2,1-2H3 |
| Smiles | CC(C)CCN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all