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P-885548038

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Name File
SDF P-885548038.sdf
SMILES P-885548038.smiles
Standard InChI P-885548038.inchi
InChIKey P-885548038.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885548038 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 248.110
logP 3.4625
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 2
PSA 102.78
RO5 violations 0
RO3 violations 3
Refractivity 64.2402
Atoms 26
Rings 1
Heavy atoms 15
Hydrogen atoms 11
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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