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P-12791811

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Name File
SDF P-12791811.sdf
SMILES P-12791811.smiles
Standard InChI P-12791811.inchi
InChIKey P-12791811.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12791811 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 338.399
logP 4.4057
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 6
PSA 78.43
RO5 violations 0
RO3 violations 5
Refractivity 98.7982
Atoms 47
Rings 3
Heavy atoms 25
Hydrogen atoms 22
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
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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