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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 157 USD N/A 19 working days Get Quote
5 mg 157 USD N/A 19 working days Get Quote
10 mg 157 USD N/A 19 working days Get Quote
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Name File
SDF P-590401594.sdf
SMILES P-590401594.smiles
Standard InChI P-590401594.inchi
InChIKey P-590401594.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-590401594 AK Scientific Building Blocks N/A in stock November 4, 2019
Property Value
Components 1
Mass 189.167
logP 1.6386
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 1
PSA 70.42
RO5 violations 0
RO3 violations 2
Refractivity 50.7253
Atoms 21
Rings 2
Heavy atoms 14
Hydrogen atoms 7
Heteroatoms 4
N/O atoms 4
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