MCULE-3154880919
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Name | File |
---|---|
SDF | MCULE-3154880919.sdf |
SMILES | MCULE-3154880919.smiles |
Standard InChI | MCULE-3154880919.inchi |
InChIKey | MCULE-3154880919.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-851693465 | AmBeed | On request | 97 | As is | by synthesis | April 1 |
P-591079199 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis | July 29 |
P-4393183 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg | August 3 |
P-619292265 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg | 7 hours ago |
P-12427833 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
P-24820165 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg | August 9 |
Property | Value |
---|---|
Components | 1 |
Mass | 327.403 |
logP | 3.38248 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 100.31 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 90.9307 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 17 |
Heteroatoms | 6 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |