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P-502885984

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Name File
SDF P-502885984.sdf
SMILES P-502885984.smiles
Standard InChI P-502885984.inchi
InChIKey P-502885984.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502885984 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 420.500
logP 4.7406
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 7
PSA 63.93
RO5 violations 0
RO3 violations 5
Refractivity 122.9895
Atoms 59
Rings 4
Heavy atoms 31
Hydrogen atoms 28
Heteroatoms 6
N/O atoms 6
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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