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P-885534640

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Name File
SDF P-885534640.sdf
SMILES P-885534640.smiles
Standard InChI P-885534640.inchi
InChIKey P-885534640.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885534640 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 425.499
logP 3.6641
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 2
PSA 123.15
RO5 violations 0
RO3 violations 4
Refractivity 120.2801
Atoms 53
Rings 4
Heavy atoms 30
Hydrogen atoms 23
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
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 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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