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  1. InChIKey:
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Name File
SDF P-588721511.sdf
SMILES P-588721511.smiles
Standard InChI P-588721511.inchi
InChIKey P-588721511.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-588721511 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis June 1, 2019
Property Value
Components 1
Mass 175.654
logP 1.4216
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 2
PSA 20.31
RO5 violations 0
RO3 violations 0
Refractivity 50.263
Atoms 25
Rings 1
Heavy atoms 11
Hydrogen atoms 14
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 1
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