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P-22577029

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Name File
SDF P-22577029.sdf
SMILES P-22577029.smiles
Standard InChI P-22577029.inchi
InChIKey P-22577029.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22577029 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 422.541
logP 5.6655
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 5
PSA 87.43
RO5 violations 1
RO3 violations 5
Refractivity 127.415
Atoms 56
Rings 4
Heavy atoms 30
Hydrogen atoms 26
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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