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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 127 USD 90 24 working days Get Quote
5 mg 127 USD 90 24 working days Get Quote
10 mg 127 USD 90 24 working days Get Quote
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Name File
SDF P-520052317.sdf
SMILES P-520052317.smiles
Standard InChI P-520052317.inchi
InChIKey P-520052317.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-520052317 Princeton Biomolecular Research Screening Compounds 90 in stock January 18, 2018
Property Value
Components 1
Mass 291.357
logP 1.26588
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 4
PSA 148.33
RO5 violations 0
RO3 violations 3
Refractivity 71.6167
Atoms 28
Rings 2
Heavy atoms 19
Hydrogen atoms 9
Heteroatoms 8
N/O atoms 6
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0