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P-892985372

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Name File
SDF P-892985372.sdf
SMILES P-892985372.smiles
Standard InChI P-892985372.inchi
InChIKey P-892985372.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-892985372 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 398.426
logP 2.6917
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 3
PSA 75.71
RO5 violations 0
RO3 violations 3
Refractivity 111.1337
Atoms 52
Rings 4
Heavy atoms 29
Hydrogen atoms 23
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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