Dehydroevodiamine Chloride
PubChem CID: 156371
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| Compound Synonyms | Dehydroevodiamine chloride, 75853-60-0, CCRIS 8946, 21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, chloride, Dehydroevodiamine HCl, Indolo(2',3':3,4)pyrido(2,1-b)quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, chloride, 1908480-31-8, CHEMBL465372, AKOS037514615, C71387, 14-Methyl-5-oxo-5,7,8,13-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium chloride, 14-Methyl-5-oxo-5,7,8,13-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-iumchloride, 21-METHYL-14-OXO-3,13,21-TRIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-1(21),2(10),4,6,8,15,17,19-OCTAEN-21-IUM CHLORIDE |
|---|---|
| Topological Polar Surface Area | 39.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 21-methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one, chloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C19H16ClN3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVOMSEHNGXLQRU-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -5.39 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.264 |
| Compound Name | Dehydroevodiamine Chloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.098 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.098 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 337.8 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8937219999999995 |
| Inchi | InChI=1S/C19H15N3O.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, /h2-9H,10-11H2,1H3, 1H |
| Smiles | C[N+]1=C2C3=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