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P-889882094

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Name File
SDF P-889882094.sdf
SMILES P-889882094.smiles
Standard InChI P-889882094.inchi
InChIKey P-889882094.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889882094 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 552.625
logP 3.199
H-bond acceptors 13
H-bond donors 4
Rotatable bonds 9
PSA 165.81
RO5 violations 2
RO3 violations 6
Refractivity 157.3845
Atoms 76
Rings 5
Heavy atoms 40
Hydrogen atoms 36
Heteroatoms 13
N/O atoms 13
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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