MDMB-BUTINACA butanoic acid metabolite
CAS: 3039541-82-4
| 1 | MDMB-BUTINACA butanoic acid metabolite |
| 2 | Carboxy-ABD-BUINACA |
| 3 | DTXSID301342315 |
| 4 | N-[(1-butyl-1h-indazol-3-yl)carbonyl]-3-methyl-l-valine |
No description available for this item
| Molecular Formula | C18H25N3O3 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 331.4000 |
| InChIKey | JZINBWLHQCZMHR-OAHLLOKOSA-N |
| InChI | InChI=1S/C18H25N3O3/c1-5-6-11-21-13-10-8-7-9-12(13)14(20-21)16(22)19-15(17(23)24)18(2,3)4/h7-10,15H,5-6,11H2,1-4H3,(H,19,22)(H,23,24)/t15-/m1/s1 |
| XLogP | 3.7000 |
| ExactMass | 331.1896 |
| MonoisotopicMass | 331.1896 |
| TPSA | 84.2000 |
| Complexity | 461.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 24 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 1 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |