Arundamine
PubChem CID: 12043482
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| Compound Synonyms | Arundamine, 475977-53-8, HY-N12117, DA-61231, CS-0891860, G89285 |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(dimethylamino)ethyl]-4-[3-[2-(methylamino)ethyl]indol-1-yl]-1H-indol-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C23H28N4O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MVAOYGGYTIEJRK-UHFFFAOYSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -2.789 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.86 |
| Compound Name | Arundamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 376.226 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.226 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 376.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.430839085714285 |
| Inchi | InChI=1S/C23H28N4O/c1-24-12-10-17-15-27(20-7-5-4-6-18(17)20)23-21(28)9-8-19-22(23)16(14-25-19)11-13-26(2)3/h4-9,14-15,24-25,28H,10-13H2,1-3H3 |
| Smiles | CNCCC1=CN(C2=CC=CC=C21)C3=C(C=CC4=C3C(=CN4)CCN(C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients