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P-502626386

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Name File
SDF P-502626386.sdf
SMILES P-502626386.smiles
Standard InChI P-502626386.inchi
InChIKey P-502626386.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502626386 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 450.373
logP 5.3272
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 5
PSA 96.16
RO5 violations 1
RO3 violations 5
Refractivity 116.962
Atoms 42
Rings 3
Heavy atoms 26
Hydrogen atoms 16
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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