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  1. InChIKey:
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Name File
SDF P-580491998.sdf
SMILES P-580491998.smiles
Standard InChI P-580491998.inchi
InChIKey P-580491998.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-580491998 Manchester Organics Compounds on demand N/A by synthesis July 17, 2017
Property Value
Components 1
Mass 82.100
logP 1.588
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 0
PSA 13.14
RO5 violations 0
RO3 violations 0
Refractivity 23.674
Atoms 12
Rings 1
Heavy atoms 6
Hydrogen atoms 6
Heteroatoms 1
N/O atoms 1
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