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P-552017410

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Name File
SDF P-552017410.sdf
SMILES P-552017410.smiles
Standard InChI P-552017410.inchi
InChIKey P-552017410.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-552017410 Ark Pharm Inc. Building Blocks (on-demand) 97 by synthesis May 1, 2018
Property Value
Components 1
Mass 211.257
logP 1.5201
H-bond acceptors 4
H-bond donors 4
Rotatable bonds 4
PSA 72.72
RO5 violations 0
RO3 violations 4
Refractivity 58.6455
Atoms 32
Rings 1
Heavy atoms 15
Hydrogen atoms 17
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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