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P-22795871

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Name File
SDF P-22795871.sdf
SMILES P-22795871.smiles
Standard InChI P-22795871.inchi
InChIKey P-22795871.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22795871 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 485.340
logP 5.8486
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 5
PSA 50.16
RO5 violations 1
RO3 violations 4
Refractivity 115.4262
Atoms 54
Rings 4
Heavy atoms 30
Hydrogen atoms 24
Heteroatoms 9
N/O atoms 5
Inorganic atoms 0
Halogen atoms 4
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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