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P-888640590

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Name File
SDF P-888640590.sdf
SMILES P-888640590.smiles
Standard InChI P-888640590.inchi
InChIKey P-888640590.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-888640590 TargetMol Screening Compounds - stock amount 95 unavailable
Property Value
Components 1
Mass 439.629
logP 7.5536
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 18
PSA 58.56
RO5 violations 1
RO3 violations 4
Refractivity 137.1687
Atoms 73
Rings 1
Heavy atoms 32
Hydrogen atoms 41
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0
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