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Name File
SDF P-885544629.sdf
SMILES P-885544629.smiles
Standard InChI P-885544629.inchi
InChIKey P-885544629.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885544629 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 384.414
logP -0.1556
H-bond acceptors 11
H-bond donors 5
Rotatable bonds 7
PSA 207.93
RO5 violations 1
RO3 violations 5
Refractivity 92.8102
Atoms 46
Rings 3
Heavy atoms 26
Hydrogen atoms 20
Heteroatoms 12
N/O atoms 11
Inorganic atoms 0
Halogen atoms 0
Chiral centers 5
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 5
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0