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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 297 USD 90 30 working days Get Quote
5 mg 317 USD 90 30 working days Get Quote
10 mg 340 USD 90 30 working days Get Quote
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Name File
SDF P-602118920.sdf
SMILES P-602118920.smiles
Standard InChI P-602118920.inchi
InChIKey P-602118920.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-602118920 Ukrorgsyntez Screening compounds (3 weeks) 90 by synthesis February 1, 2020
Property Value
Components 1
Mass 315.323
logP 0.5835
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 5
PSA 88.6
RO5 violations 0
RO3 violations 4
Refractivity 83.7667
Atoms 40
Rings 4
Heavy atoms 23
Hydrogen atoms 17
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0