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  1. InChIKey:
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Name File
SDF P-887317762.sdf
SMILES P-887317762.smiles
Standard InChI P-887317762.inchi
InChIKey P-887317762.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-887317762 Combi-Blocks Building Block on demand 95 by synthesis
Property Value
Components 1
Mass 387.433
logP 4.6449
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 6
PSA 109.23
RO5 violations 0
RO3 violations 5
Refractivity 102.6979
Atoms 45
Rings 3
Heavy atoms 27
Hydrogen atoms 18
Heteroatoms 9
N/O atoms 7
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