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P-502830806

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Name File
SDF P-502830806.sdf
SMILES P-502830806.smiles
Standard InChI P-502830806.inchi
InChIKey P-502830806.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502830806 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 388.414
logP 2.9647
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 7
PSA 92.22
RO5 violations 0
RO3 violations 4
Refractivity 103.491
Atoms 44
Rings 3
Heavy atoms 27
Hydrogen atoms 17
Heteroatoms 8
N/O atoms 6
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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