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P-239820

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Name File
SDF P-239820.sdf
SMILES P-239820.smiles
Standard InChI P-239820.inchi
InChIKey P-239820.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-239820 Chemical Block Screening Library 90 243 mg
Property Value
Components 1
Mass 428.457
logP 4.70248
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 2
PSA 99.22
RO5 violations 0
RO3 violations 4
Refractivity 123.9481
Atoms 53
Rings 5
Heavy atoms 32
Hydrogen atoms 21
Heteroatoms 7
N/O atoms 6
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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