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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 124 USD 99 14 working days Get Quote
5 mg 124 USD 99 14 working days Get Quote
10 mg 124 USD 99 14 working days Get Quote
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Name File
SDF P-579711698.sdf
SMILES P-579711698.smiles
Standard InChI P-579711698.inchi
InChIKey P-579711698.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-579711698 Selleckchem Product Catalog 99 in stock May 18
Property Value
Components 3
Mass 515.861
logP 3.0264
H-bond acceptors 11
H-bond donors 7
Rotatable bonds 8
PSA 203.3
RO5 violations 3
RO3 violations 6
Refractivity 125.937
Atoms 64
Rings 2
Heavy atoms 32
Hydrogen atoms 32
Heteroatoms 14
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0