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P-885529230

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Name File
SDF P-885529230.sdf
SMILES P-885529230.smiles
Standard InChI P-885529230.inchi
InChIKey P-885529230.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885529230 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 448.381
logP 5.0002
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 44.81
RO5 violations 1
RO3 violations 4
Refractivity 133.2557
Atoms 57
Rings 4
Heavy atoms 30
Hydrogen atoms 27
Heteroatoms 7
N/O atoms 5
Inorganic atoms 0
Halogen atoms 2
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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