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P-502597110

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Name File
SDF P-502597110.sdf
SMILES P-502597110.smiles
Standard InChI P-502597110.inchi
InChIKey P-502597110.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502597110 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 289.797
logP 4.734
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 3
PSA 29.1
RO5 violations 0
RO3 violations 1
Refractivity 83.8057
Atoms 40
Rings 3
Heavy atoms 20
Hydrogen atoms 20
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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