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P-436441847

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Name File
SDF P-436441847.sdf
SMILES P-436441847.smiles
Standard InChI P-436441847.inchi
InChIKey P-436441847.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-436441847 Chemical Block Building Blocks 90 8.8 g
Property Value
Components 1
Mass 221.276
logP 1.0996
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 5
PSA 91.85
RO5 violations 0
RO3 violations 3
Refractivity 51.9935
Atoms 29
Rings 1
Heavy atoms 14
Hydrogen atoms 15
Heteroatoms 6
N/O atoms 5
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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