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P-580232960

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Name File
SDF P-580232960.sdf
SMILES P-580232960.smiles
Standard InChI P-580232960.inchi
InChIKey P-580232960.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580232960 Aldlab Chemicals Building Block Custom Synth 95 by synthesis
Property Value
Components 2
Mass 355.529
logP 2.9267
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 3
PSA 54.26
RO5 violations 0
RO3 violations 2
Refractivity 80.652
Atoms 38
Rings 2
Heavy atoms 23
Hydrogen atoms 15
Heteroatoms 12
N/O atoms 6
Inorganic atoms 0
Halogen atoms 5
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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