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P-885549630

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Name File
SDF P-885549630.sdf
SMILES P-885549630.smiles
Standard InChI P-885549630.inchi
InChIKey P-885549630.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885549630 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 250.090
logP 1.963
H-bond acceptors 4
H-bond donors 4
Rotatable bonds 2
PSA 86.71
RO5 violations 0
RO3 violations 3
Refractivity 55.0304
Atoms 25
Rings 1
Heavy atoms 13
Hydrogen atoms 12
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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