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MCULE-4777728017
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8724562460
- Component type: Unknown
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1
MCULE-6864914380
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4777728017.sdf |
| SMILES | MCULE-4777728017.smiles |
| Standard InChI | MCULE-4777728017.inchi |
| InChIKey | MCULE-4777728017.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1548.325 |
| logP | 15.7922 |
| H-bond acceptors | 36 |
| H-bond donors | 14 |
| Rotatable bonds | 18 |
| PSA | 646.34 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 361.5118 |
| Atoms | 142 |
| Rings | 12 |
| Heavy atoms | 102 |
| Hydrogen atoms | 40 |
| Heteroatoms | 44 |
| N/O atoms | 36 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
