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P-580232961

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Name File
SDF P-580232961.sdf
SMILES P-580232961.smiles
Standard InChI P-580232961.inchi
InChIKey P-580232961.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580232961 Aldlab Chemicals Building Block Custom Synth 95 by synthesis
Property Value
Components 2
Mass 349.095
logP 0.7098
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 3
PSA 63.26
RO5 violations 0
RO3 violations 3
Refractivity 81.1264
Atoms 40
Rings 2
Heavy atoms 24
Hydrogen atoms 16
Heteroatoms 12
N/O atoms 7
Inorganic atoms 0
Halogen atoms 4
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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