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MCULE-1230968249
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-8718996705
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1230968249.sdf |
| SMILES | MCULE-1230968249.smiles |
| Standard InChI | MCULE-1230968249.inchi |
| InChIKey | MCULE-1230968249.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-3247759 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As a component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 23.998 |
| logP | 0.0 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 0.0 |
| Atoms | 2 |
| Rings | 0 |
| Heavy atoms | 1 |
| Hydrogen atoms | 1 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
