CID 21598353
PubChem CID: 21598353
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| Compound Synonyms | 1674-01-7, SCHEMBL3392857, (7R)-5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole, (15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene |
|---|---|
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H24N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GWRGHAJVUZLGHL-OAHLLOKOSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.935 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.755 |
| Compound Name | CID 21598353 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.104015857142857 |
| Inchi | InChI=1S/C19H24N2/c1-2-14-11-15-7-8-19-17(9-10-21(12-14)13-15)16-5-3-4-6-18(16)20-19/h3-6,11,15,20H,2,7-10,12-13H2,1H3/t15-/m1/s1 |
| Smiles | CCC1=C[C@H]2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all