5,6-Dihydrobicolorine
PubChem CID: 375118
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| Compound Synonyms | 5,6-Dihydrobicolorine, NSC654242, 5-Methyl-5,6-dihydro[1,3]dioxolo[4,5-j]phenanthridine, 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridine, CHEMBL2005884, NSC-654242, NCI60_018834 |
|---|---|
| Topological Polar Surface Area | 21.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridine |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WAZIYEFJZKKXBR-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.635 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.349 |
| Compound Name | 5,6-Dihydrobicolorine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 239.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 239.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.744632133333333 |
| Inchi | InChI=1S/C15H13NO2/c1-16-8-10-6-14-15(18-9-17-14)7-12(10)11-4-2-3-5-13(11)16/h2-7H,8-9H2,1H3 |
| Smiles | CN1CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3 |
| 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