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P-502605464

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Name File
SDF P-502605464.sdf
SMILES P-502605464.smiles
Standard InChI P-502605464.inchi
InChIKey P-502605464.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502605464 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 487.503
logP 5.3266
H-bond acceptors 9
H-bond donors 1
Rotatable bonds 9
PSA 125.55
RO5 violations 1
RO3 violations 5
Refractivity 138.5223
Atoms 61
Rings 4
Heavy atoms 36
Hydrogen atoms 25
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
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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