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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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Guaranteed purity (%) Delivery time  Help
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1 mg 26 USD 95 19 working days Get Quote
5 mg 26 USD 95 19 working days Get Quote
10 mg 26 USD 95 19 working days Get Quote
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Name File
SDF P-869317188.sdf
SMILES P-869317188.smiles
Standard InChI P-869317188.inchi
InChIKey P-869317188.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-869317188 AK Scientific Building Blocks 95 in stock
Property Value
Components 1
Mass 210.234
logP 2.03338
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 61.6
RO5 violations 0
RO3 violations 2
Refractivity 60.5397
Atoms 26
Rings 2
Heavy atoms 16
Hydrogen atoms 10
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
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