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  1. InChIKey:
  2. SMILES:
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Name File
SDF P-611567330.sdf
SMILES P-611567330.smiles
Standard InChI P-611567330.inchi
InChIKey P-611567330.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611567330 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 153.178
logP 1.2993
H-bond acceptors 3
H-bond donors 3
Rotatable bonds 2
PSA 66.48
RO5 violations 0
RO3 violations 1
Refractivity 42.9684
Atoms 22
Rings 1
Heavy atoms 11
Hydrogen atoms 11
Heteroatoms 3
N/O atoms 3
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