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  1. InChIKey:
  2. SMILES:
  3. Formula:
Amount Price  Help
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1 mg 12 USD 99 20 working days Get Quote
5 mg 12 USD 99 20 working days Get Quote
10 mg 12 USD 99 20 working days Get Quote
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Name File
SDF P-596939213.sdf
SMILES P-596939213.smiles
Standard InChI P-596939213.inchi
InChIKey P-596939213.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596939213 Angene Building Blocks in stock 99 50 g
Property Value
Components 1
Mass 287.356
logP 2.2517
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 5
PSA 57.36
RO5 violations 0
RO3 violations 2
Refractivity 86.2454
Atoms 42
Rings 3
Heavy atoms 21
Hydrogen atoms 21
Heteroatoms 5
N/O atoms 5
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