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P-502656173

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Name File
SDF P-502656173.sdf
SMILES P-502656173.smiles
Standard InChI P-502656173.inchi
InChIKey P-502656173.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502656173 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 441.491
logP 4.3315
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 9
PSA 76.07
RO5 violations 0
RO3 violations 5
Refractivity 122.8823
Atoms 60
Rings 3
Heavy atoms 32
Hydrogen atoms 28
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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