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P-127208

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Name File
SDF P-127208.sdf
SMILES P-127208.smiles
Standard InChI P-127208.inchi
InChIKey P-127208.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-127208 Chemical Block Screening Library 90 179 mg
Property Value
Components 1
Mass 427.363
logP 3.448
H-bond acceptors 11
H-bond donors 2
Rotatable bonds 8
PSA 169.48
RO5 violations 1
RO3 violations 5
Refractivity 114.7661
Atoms 48
Rings 3
Heavy atoms 31
Hydrogen atoms 17
Heteroatoms 11
N/O atoms 11
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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