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  1. InChIKey:
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Name File
SDF P-579719221.sdf
SMILES P-579719221.smiles
Standard InChI P-579719221.inchi
InChIKey P-579719221.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-579719221 Epsilon Chimie Epsilon Chimie general catalog 95 in stock
Property Value
Components 1
Mass 202.101
logP 0.1878
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 2
PSA 104.64
RO5 violations 0
RO3 violations 2
Refractivity 45.0794
Atoms 20
Rings 1
Heavy atoms 13
Hydrogen atoms 7
Heteroatoms 6
N/O atoms 5
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