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UNKNOWN STEREO
MCULE-2400970631
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-6223924850
- Component type: Unknown
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MCULE-5927985888
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2400970631.sdf |
| SMILES | MCULE-2400970631.smiles |
| Standard InChI | MCULE-2400970631.inchi |
| InChIKey | MCULE-2400970631.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856009290 | Key Organics | Biochemicals | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 733.926 |
| logP | 1.7856 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 7 |
| PSA | 193.91 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 189.36 |
| Atoms | 118 |
| Rings | 3 |
| Heavy atoms | 51 |
| Hydrogen atoms | 67 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 18 |
| R/S chiral centers | 17 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
