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  1. InChIKey:
  2. SMILES:
  3. Formula:
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1 mg 127 USD 90 39 working days Get Quote
5 mg 127 USD 90 39 working days Get Quote
10 mg 127 USD 90 39 working days Get Quote
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Name File
SDF P-520169667.sdf
SMILES P-520169667.smiles
Standard InChI P-520169667.inchi
InChIKey P-520169667.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-520169667 Princeton Biomolecular Research Screening Compounds 90 in stock January 18, 2018
Property Value
Components 1
Mass 370.831
logP 3.6033
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 6
PSA 80.04
RO5 violations 0
RO3 violations 5
Refractivity 99.753
Atoms 45
Rings 3
Heavy atoms 26
Hydrogen atoms 19
Heteroatoms 7
N/O atoms 6
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