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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 607 USD 95 12 working days Get Quote
5 mg 607 USD 95 12 working days Get Quote
10 mg 607 USD 95 12 working days Get Quote
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Name File
SDF P-579619369.sdf
SMILES P-579619369.smiles
Standard InChI P-579619369.inchi
InChIKey P-579619369.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-579619369 LabSeeker, Inc Stock Collection 95 in stock August 11, 2017
Property Value
Components 2
Mass 417.951
logP 4.4028
H-bond acceptors 7
H-bond donors 4
Rotatable bonds 9
PSA 125.13
RO5 violations 0
RO3 violations 6
Refractivity 112.1076
Atoms 55
Rings 2
Heavy atoms 27
Hydrogen atoms 28
Heteroatoms 9
N/O atoms 7
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