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P-502657387

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Name File
SDF P-502657387.sdf
SMILES P-502657387.smiles
Standard InChI P-502657387.inchi
InChIKey P-502657387.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502657387 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 524.647
logP 5.1362
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 14
PSA 99.54
RO5 violations 2
RO3 violations 5
Refractivity 152.4783
Atoms 78
Rings 3
Heavy atoms 38
Hydrogen atoms 40
Heteroatoms 8
N/O atoms 8
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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