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  1. InChIKey:
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Name File
SDF P-617694131.sdf
SMILES P-617694131.smiles
Standard InChI P-617694131.inchi
InChIKey P-617694131.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-617694131 Otava Chemical Building Blocks for Prompt Delivery 90 in stock July 7
Property Value
Components 1
Mass 196.229
logP 1.38588
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 4
PSA 91.22
RO5 violations 0
RO3 violations 3
Refractivity 47.7225
Atoms 21
Rings 1
Heavy atoms 13
Hydrogen atoms 8
Heteroatoms 5
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