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P-503885431

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Name File
SDF P-503885431.sdf
SMILES P-503885431.smiles
Standard InChI P-503885431.inchi
InChIKey P-503885431.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503885431 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 235.322
logP 2.9878
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 6
PSA 38.33
RO5 violations 0
RO3 violations 1
Refractivity 69.9027
Atoms 38
Rings 1
Heavy atoms 17
Hydrogen atoms 21
Heteroatoms 3
N/O atoms 3
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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