MCULE-7519582238
- InChIKey:
- SMILES:
- InChI:
- Formula:
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2
MCULE-5646000632
- Component type: Unknown
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1
MCULE-4077812195
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-7519582238.sdf |
SMILES | MCULE-7519582238.smiles |
Standard InChI | MCULE-7519582238.inchi |
InChIKey | MCULE-7519582238.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-579660905 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 3 |
Mass | 68.145 |
logP | 0.217 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 25.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 14.7596 |
Atoms | 11 |
Rings | 0 |
Heavy atoms | 3 |
Hydrogen atoms | 8 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |