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P-12801436

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Name File
SDF P-12801436.sdf
SMILES P-12801436.smiles
Standard InChI P-12801436.inchi
InChIKey P-12801436.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12801436 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 384.418
logP 5.71168
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 6
PSA 79.27
RO5 violations 1
RO3 violations 5
Refractivity 102.8094
Atoms 50
Rings 3
Heavy atoms 28
Hydrogen atoms 22
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 2
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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