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P-893042327

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Name File
SDF P-893042327.sdf
SMILES P-893042327.smiles
Standard InChI P-893042327.inchi
InChIKey P-893042327.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-893042327 A2B Chem Predominantly Building Block on demand N/A by synthesis
Property Value
Components 1
Mass 420.500
logP 3.6376
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 9
PSA 70.08
RO5 violations 0
RO3 violations 5
Refractivity 124.2613
Atoms 59
Rings 3
Heavy atoms 31
Hydrogen atoms 28
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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