N-methyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine
PubChem CID: 163082541
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| Topological Polar Surface Area | 49.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-methyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C21H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LOOVNAROGQVITO-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.028 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.3 |
| Compound Name | N-methyl-2-(3,4,7,8-tetramethoxyphenanthren-1-yl)ethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 355.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 355.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.588352338461539 |
| Inchi | InChI=1S/C21H25NO4/c1-22-11-10-13-12-18(24-3)21(26-5)19-14(13)6-7-16-15(19)8-9-17(23-2)20(16)25-4/h6-9,12,22H,10-11H2,1-5H3 |
| Smiles | CNCCC1=CC(=C(C2=C1C=CC3=C2C=CC(=C3OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients