N-Phenylethylcrinasiadine
PubChem CID: 71452576
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| Compound Synonyms | N-Phenylethylcrinasiadine, 5-(2-phenylethyl)-(1,3)dioxolo(4,5-j)phenanthridin-6-one, 5-(2-phenylethyl)-[1,3]dioxolo[4,5-j]phenanthridin-6-one, CHEMBL2208199 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(2-phenylethyl)-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C22H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYJJHCQITZCPLK-UHFFFAOYSA-N |
| Fcsp3 | 0.1363636363636363 |
| Logs | -6.989 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.031 |
| Compound Name | N-Phenylethylcrinasiadine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 343.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 343.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.994199169230769 |
| Inchi | InChI=1S/C22H17NO3/c24-22-18-13-21-20(25-14-26-21)12-17(18)16-8-4-5-9-19(16)23(22)11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2 |
| Smiles | C1OC2=C(O1)C=C3C(=C2)C4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5 |
| Nring | 5.0 |
| 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