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  1. InChIKey:
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Name File
SDF P-502365651.sdf
SMILES P-502365651.smiles
Standard InChI P-502365651.inchi
InChIKey P-502365651.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502365651 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 505.444
logP 6.2838
H-bond acceptors 10
H-bond donors 10
Rotatable bonds 17
PSA 167.58
RO5 violations 3
RO3 violations 6
Refractivity 143.427
Atoms 64
Rings 2
Heavy atoms 34
Hydrogen atoms 30
Heteroatoms 12
N/O atoms 10
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 4
Unknown stereo double bonds 0
Undefined stereo double bonds 0