MCULE-9976402631-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
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|
---|---|---|---|---|
1 mg | 161 USD | 95 | 15 working days | Get Quote |
5 mg | 161 USD | 95 | 15 working days | Get Quote |
10 mg | 161 USD | 95 | 15 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-9976402631-0.sdf |
SMILES | MCULE-9976402631-0.smiles |
Standard InChI | MCULE-9976402631-0.inchi |
InChIKey | MCULE-9976402631-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-579791912 | Apollo Scientific | On request | 95 | As a component | by resynthesis (? - ? days) |
P-502390779 | TimTec | Building Block Collection | 90 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 113.015 |
logP | -0.7014 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 40.13 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 11.7485 |
Atoms | 7 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 0 |
Heteroatoms | 5 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |