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P-852420647

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Name File
SDF P-852420647.sdf
SMILES P-852420647.smiles
Standard InChI P-852420647.inchi
InChIKey P-852420647.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-852420647 Matrix Scientific All N/A in stock
Property Value
Components 1
Mass 180.247
logP 1.6686
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 49.49
RO5 violations 0
RO3 violations 1
Refractivity 55.8292
Atoms 29
Rings 1
Heavy atoms 13
Hydrogen atoms 16
Heteroatoms 3
N/O atoms 3
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
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