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MCULE-9364414286
Compound
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- InChIKey:
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- InChI:
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1
MCULE-3797735805
- Component type: Unknown
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1
MCULE-7506260206
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-9364414286.sdf |
| SMILES | MCULE-9364414286.smiles |
| Standard InChI | MCULE-9364414286.inchi |
| InChIKey | MCULE-9364414286.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 387.172 |
| logP | 5.4605 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 147.75 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 100.4334 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 12 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
