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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 18 USD 98 19 working days Get Quote
5 mg 18 USD 98 19 working days Get Quote
10 mg 18 USD 98 19 working days Get Quote
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Name File
SDF P-505354399.sdf
SMILES P-505354399.smiles
Standard InChI P-505354399.inchi
InChIKey P-505354399.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-505354399 AK Scientific Building Blocks 98 in stock July 13, 2018
Property Value
Components 2
Mass 492.518
logP 1.6452
H-bond acceptors 11
H-bond donors 4
Rotatable bonds 13
PSA 170.54
RO5 violations 1
RO3 violations 5
Refractivity 129.0661
Atoms 67
Rings 2
Heavy atoms 35
Hydrogen atoms 32
Heteroatoms 11
N/O atoms 11
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0