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P-22425950

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Name File
SDF P-22425950.sdf
SMILES P-22425950.smiles
Standard InChI P-22425950.inchi
InChIKey P-22425950.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22425950 ChemDiv Discovery Chemistry Library (natural) 90 unavailable
Property Value
Components 1
Mass 307.341
logP 1.0577
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 5
PSA 80.92
RO5 violations 0
RO3 violations 4
Refractivity 84.0436
Atoms 43
Rings 2
Heavy atoms 22
Hydrogen atoms 21
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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