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P-12754021

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Name File
SDF P-12754021.sdf
SMILES P-12754021.smiles
Standard InChI P-12754021.inchi
InChIKey P-12754021.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12754021 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 416.522
logP 4.45448
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 6
PSA 159.62
RO5 violations 0
RO3 violations 5
Refractivity 107.7401
Atoms 48
Rings 3
Heavy atoms 28
Hydrogen atoms 20
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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