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  1. InChIKey:
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Name File
SDF P-617699458.sdf
SMILES P-617699458.smiles
Standard InChI P-617699458.inchi
InChIKey P-617699458.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-617699458 Otava Chemical Building Blocks for Prompt Delivery 95 in stock January 15
Property Value
Components 1
Mass 234.319
logP 2.51728
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 6
PSA 78.19
RO5 violations 0
RO3 violations 2
Refractivity 67.4817
Atoms 30
Rings 1
Heavy atoms 16
Hydrogen atoms 14
Heteroatoms 4
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