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P-31248373

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Name File
SDF P-31248373.sdf
SMILES P-31248373.smiles
Standard InChI P-31248373.inchi
InChIKey P-31248373.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-31248373 LaboTest Screening Collection 90 unavailable
Property Value
Components 1
Mass 174.201
logP 0.5528
H-bond acceptors 6
H-bond donors 5
Rotatable bonds 6
PSA 125.22
RO5 violations 0
RO3 violations 4
Refractivity 44.535
Atoms 26
Rings 0
Heavy atoms 12
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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