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  1. InChIKey:
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Name File
SDF P-596985931.sdf
SMILES P-596985931.smiles
Standard InChI P-596985931.inchi
InChIKey P-596985931.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-596985931 Angene Building Blocks N/A in stock June 10
Property Value
Components 1
Mass 414.396
logP 1.4591
H-bond acceptors 13
H-bond donors 2
Rotatable bonds 10
PSA 172.01
RO5 violations 1
RO3 violations 4
Refractivity 93.4609
Atoms 46
Rings 2
Heavy atoms 28
Hydrogen atoms 18
Heteroatoms 14
N/O atoms 13
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