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P-502898755

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Name File
SDF P-502898755.sdf
SMILES P-502898755.smiles
Standard InChI P-502898755.inchi
InChIKey P-502898755.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502898755 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 454.943
logP 4.67
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 8
PSA 62.99
RO5 violations 0
RO3 violations 5
Refractivity 130.0685
Atoms 59
Rings 4
Heavy atoms 32
Hydrogen atoms 27
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
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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