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P-502368682

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Name File
SDF P-502368682.sdf
SMILES P-502368682.smiles
Standard InChI P-502368682.inchi
InChIKey P-502368682.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502368682 TimTec Building Block Collection 90 in stock
Property Value
Components 3
Mass 313.225
logP -4.436
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 7
PSA 180.48
RO5 violations 0
RO3 violations 5
Refractivity 71.5418
Atoms 30
Rings 0
Heavy atoms 16
Hydrogen atoms 14
Heteroatoms 10
N/O atoms 6
Inorganic atoms 0
Halogen atoms 2
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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