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P-580726842

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Name File
SDF P-580726842.sdf
SMILES P-580726842.smiles
Standard InChI P-580726842.inchi
InChIKey P-580726842.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580726842 BLD pharm In-stock building blocks 98 unavailable
Property Value
Components 1
Mass 442.472
logP 5.5659
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 5
PSA 56.33
RO5 violations 1
RO3 violations 4
Refractivity 122.9315
Atoms 57
Rings 4
Heavy atoms 32
Hydrogen atoms 25
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 3
Chiral centers 2
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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