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P-143195

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Name File
SDF P-143195.sdf
SMILES P-143195.smiles
Standard InChI P-143195.inchi
InChIKey P-143195.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-143195 Chemical Block Screening Library 90 21 mg
Property Value
Components 1
Mass 431.454
logP 4.5932
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 66.84
RO5 violations 0
RO3 violations 5
Refractivity 122.0903
Atoms 54
Rings 4
Heavy atoms 32
Hydrogen atoms 22
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
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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