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P-867512232

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Name File
SDF P-867512232.sdf
SMILES P-867512232.smiles
Standard InChI P-867512232.inchi
InChIKey P-867512232.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-867512232 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 2
Mass 401.283
logP -1.1121
H-bond acceptors 13
H-bond donors 4
Rotatable bonds 4
PSA 221.51
RO5 violations 1
RO3 violations 5
Refractivity 73.3452
Atoms 37
Rings 3
Heavy atoms 25
Hydrogen atoms 12
Heteroatoms 15
N/O atoms 13
Inorganic atoms 1
Halogen atoms 0
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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