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P-885525649

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Name File
SDF P-885525649.sdf
SMILES P-885525649.smiles
Standard InChI P-885525649.inchi
InChIKey P-885525649.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885525649 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 102.092
logP -0.5958
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 0
PSA 64.35
RO5 violations 0
RO3 violations 2
Refractivity 25.1301
Atoms 13
Rings 1
Heavy atoms 7
Hydrogen atoms 6
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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