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P-502597862

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Name File
SDF P-502597862.sdf
SMILES P-502597862.smiles
Standard InChI P-502597862.inchi
InChIKey P-502597862.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502597862 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 331.385
logP 5.2849
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 40.71
RO5 violations 1
RO3 violations 3
Refractivity 99.2974
Atoms 43
Rings 4
Heavy atoms 25
Hydrogen atoms 18
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
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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