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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 81 USD 99 14 working days Get Quote
5 mg 81 USD 99 14 working days Get Quote
10 mg 81 USD 99 14 working days Get Quote
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Name File
SDF P-596974240.sdf
SMILES P-596974240.smiles
Standard InChI P-596974240.inchi
InChIKey P-596974240.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-596974240 Angene Building Blocks 99 in stock February 1, 2020
Property Value
Components 2
Mass 474.974
logP 3.6979
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 11
PSA 95.94
RO5 violations 0
RO3 violations 5
Refractivity 131.4585
Atoms 64
Rings 3
Heavy atoms 33
Hydrogen atoms 31
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 3
R/S chiral centers 3
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