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P-12825086

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Name File
SDF P-12825086.sdf
SMILES P-12825086.smiles
Standard InChI P-12825086.inchi
InChIKey P-12825086.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12825086 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 398.434
logP 3.5985
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 8
PSA 118.08
RO5 violations 0
RO3 violations 5
Refractivity 109.3842
Atoms 46
Rings 3
Heavy atoms 28
Hydrogen atoms 18
Heteroatoms 8
N/O atoms 7
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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