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P-596583080

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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 328 USD 97 27 working days Get Quote
5 mg 328 USD 97 27 working days Get Quote
10 mg 328 USD 97 27 working days Get Quote
New customers are eligible for a 10% discount if indicated at the time of ordering.
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Name File
SDF P-596583080.sdf
SMILES P-596583080.smiles
Standard InChI P-596583080.inchi
InChIKey P-596583080.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596583080 Key Organics Building Blocks 97 25 g
Property Value
Components 3
Mass 484.496
logP -0.0508
H-bond acceptors 12
H-bond donors 10
Rotatable bonds 9
PSA 220.04
RO5 violations 2
RO3 violations 5
Refractivity 121.2262
Atoms 66
Rings 2
Heavy atoms 34
Hydrogen atoms 32
Heteroatoms 12
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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