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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 63 USD 97 10 working days Get Quote
5 mg 75 USD 97 10 working days Get Quote
10 mg 90 USD 97 10 working days Get Quote
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Name File
SDF P-524443808.sdf
SMILES P-524443808.smiles
Standard InChI P-524443808.inchi
InChIKey P-524443808.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-524443808 Key Organics Biochemicals 97 1.244 g
Property Value
Components 1
Mass 404.924
logP 4.7517
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 60.44
RO5 violations 0
RO3 violations 4
Refractivity 109.27
Atoms 57
Rings 4
Heavy atoms 28
Hydrogen atoms 29
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 6
R/S chiral centers 6
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