Evidiamine chloride
PubChem CID: 49797562
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| Compound Synonyms | evidiamine chloride, CHEMBL462926 |
|---|---|
| Topological Polar Surface Area | 39.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 495.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C19H18ClN3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | POJBNCIRNKFEQH-GMUIIQOCSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.755 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.228 |
| Compound Name | Evidiamine chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.114 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.114 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 339.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8664212 |
| Inchi | InChI=1S/C19H17N3O.ClH/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22, /h2-9,18,20H,10-11H2,1H3, 1H/t18-, /m1./s1 |
| Smiles | CN1[C@H]2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3.Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients