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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 26 USD 95 18 working days Get Quote
5 mg 26 USD 95 18 working days Get Quote
10 mg 68 USD 95 18 working days Get Quote
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Name File
SDF P-869185573.sdf
SMILES P-869185573.smiles
Standard InChI P-869185573.inchi
InChIKey P-869185573.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-869185573 AK Scientific Building Blocks 95 in stock
Property Value
Components 1
Mass 383.515
logP 3.2776
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 7
PSA 163.8
RO5 violations 0
RO3 violations 5
Refractivity 90.7991
Atoms 44
Rings 2
Heavy atoms 23
Hydrogen atoms 21
Heteroatoms 11
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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