CID 10572278
PubChem CID: 10572278
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 724.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Is Pains | False |
| Molecular Formula | C21H23NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PRGILOMAMBLWNG-WGGUOBTBSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 4.0 |
| Compound Name | CID 10572278 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 387.156 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 387.156 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 387.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0552025289094296 |
| Inchi | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/i7+2 |
| Smiles | CC(=O)NC1[14CH2]CC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Colchicum Autumnale (Plant) Rel Props:Source_db:cmaup_ingredients