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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Purity (%) Delivery time  Help
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1 mg 83 USD 90 12 working days Get Quote
5 mg 83 USD 90 12 working days Get Quote
10 mg 129 USD 90 12 working days Get Quote
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Name File
SDF P-425203699.sdf
SMILES P-425203699.smiles
Standard InChI P-425203699.inchi
InChIKey P-425203699.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-425203699 Alinda Stock Screening Compounds 90 in stock December 26, 2016
Property Value
Components 1
Mass 624.382
logP 8.578
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 4
PSA 92.21
RO5 violations 2
RO3 violations 5
Refractivity 146.061
Atoms 63
Rings 4
Heavy atoms 35
Hydrogen atoms 28
Heteroatoms 8
N/O atoms 5
Inorganic atoms 0
Halogen atoms 2
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