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P-502863620

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Name File
SDF P-502863620.sdf
SMILES P-502863620.smiles
Standard InChI P-502863620.inchi
InChIKey P-502863620.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502863620 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 280.328
logP 2.7005
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 6
PSA 89.48
RO5 violations 0
RO3 violations 4
Refractivity 83.6878
Atoms 37
Rings 3
Heavy atoms 21
Hydrogen atoms 16
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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