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P-113654

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Name File
SDF P-113654.sdf
SMILES P-113654.smiles
Standard InChI P-113654.inchi
InChIKey P-113654.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-113654 Chemical Block Screening Library 90 unavailable
Property Value
Components 1
Mass 323.414
logP 3.2629
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 2
PSA 78.79
RO5 violations 0
RO3 violations 4
Refractivity 104.8554
Atoms 40
Rings 4
Heavy atoms 23
Hydrogen atoms 17
Heteroatoms 5
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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