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  1. InChIKey:
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Name File
SDF P-617703492.sdf
SMILES P-617703492.smiles
Standard InChI P-617703492.inchi
InChIKey P-617703492.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-617703492 Otava Chemical Building Blocks for Prompt Delivery 95 in stock July 7
Property Value
Components 1
Mass 376.861
logP 3.35808
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 6
PSA 123.94
RO5 violations 0
RO3 violations 5
Refractivity 99.6834
Atoms 42
Rings 2
Heavy atoms 25
Hydrogen atoms 17
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0