MCULE-9488315563
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- SMILES:
- InChI:
- Formula:
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1
MCULE-9920754312
- Component type: Unknown
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1
MCULE-5646000632
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-9488315563.sdf |
SMILES | MCULE-9488315563.smiles |
Standard InChI | MCULE-9488315563.inchi |
InChIKey | MCULE-9488315563.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 133.103 |
logP | 0.0357 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 2 |
PSA | 77.84 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 29.1387 |
Atoms | 16 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |