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P-55312

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Name File
SDF P-55312.sdf
SMILES P-55312.smiles
Standard InChI P-55312.inchi
InChIKey P-55312.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-55312 Chemical Block Screening Library 90 unavailable
Property Value
Components 3
Mass 751.975
logP 2.24088
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 0
PSA 52.97
RO5 violations 1
RO3 violations 1
Refractivity 127.536
Atoms 37
Rings 3
Heavy atoms 21
Hydrogen atoms 16
Heteroatoms 7
N/O atoms 2
Inorganic atoms 0
Halogen atoms 4
Chiral centers 3
R/S chiral centers 3
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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