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P-885516593

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Name File
SDF P-885516593.sdf
SMILES P-885516593.smiles
Standard InChI P-885516593.inchi
InChIKey P-885516593.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885516593 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 200.231
logP 1.5981
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 2
PSA 74.6
RO5 violations 0
RO3 violations 2
Refractivity 51.0936
Atoms 30
Rings 1
Heavy atoms 14
Hydrogen atoms 16
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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