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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Guaranteed purity (%) Delivery time  Help
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1 mg 18 USD 98 19 working days Get Quote
5 mg 18 USD 98 19 working days Get Quote
10 mg 18 USD 98 19 working days Get Quote
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Name File
SDF P-505353351.sdf
SMILES P-505353351.smiles
Standard InChI P-505353351.inchi
InChIKey P-505353351.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-505353351 AK Scientific Building Blocks 98 in stock
Property Value
Components 1
Mass 505.444
logP 6.2838
H-bond acceptors 10
H-bond donors 10
Rotatable bonds 17
PSA 167.58
RO5 violations 3
RO3 violations 6
Refractivity 143.427
Atoms 64
Rings 2
Heavy atoms 34
Hydrogen atoms 30
Heteroatoms 12
N/O atoms 10
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 4
Cis/trans stereo double bonds 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0