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P-502683561

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Name File
SDF P-502683561.sdf
SMILES P-502683561.smiles
Standard InChI P-502683561.inchi
InChIKey P-502683561.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502683561 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 429.088
logP 4.8193
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 5
PSA 46.61
RO5 violations 0
RO3 violations 4
Refractivity 100.4045
Atoms 36
Rings 3
Heavy atoms 24
Hydrogen atoms 12
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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