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P-502820840

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Name File
SDF P-502820840.sdf
SMILES P-502820840.smiles
Standard InChI P-502820840.inchi
InChIKey P-502820840.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502820840 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 461.534
logP 5.0738
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 4
PSA 113.77
RO5 violations 1
RO3 violations 5
Refractivity 131.2615
Atoms 56
Rings 5
Heavy atoms 33
Hydrogen atoms 23
Heteroatoms 8
N/O atoms 7
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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