Wzpsgpnobzbzcx-fplpwbnlsa-
PubChem CID: 11772135
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| Compound Synonyms | WZPSGPNOBZBZCX-FPLPWBNLSA-, InChI=1/C18H17N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-10,20,22H,1-2H3,(H,19,24)/b8-7- |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 538.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (Z)-3-[[1-(1-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]prop-2-enoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | False |
| Molecular Formula | C18H17N3O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZPSGPNOBZBZCX-FPLPWBNLSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Wzpsgpnobzbzcx-fplpwbnlsa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.122 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 339.122 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 339.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2053762 |
| Inchi | InChI=1S/C18H17N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-10,20,22H,1-2H3,(H,19,24)/b8-7- |
| Smiles | CC(C1=C2C(=CC(=N1)C(=O)N/C=C\C(=O)OC)C3=CC=CC=C3N2)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Dichotoma (Plant) Rel Props:Source_db:cmaup_ingredients