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P-502365095

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Name File
SDF P-502365095.sdf
SMILES P-502365095.smiles
Standard InChI P-502365095.inchi
InChIKey P-502365095.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502365095 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 401.455
logP -0.3816
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 9
PSA 107.23
RO5 violations 0
RO3 violations 4
Refractivity 110.467
Atoms 56
Rings 2
Heavy atoms 29
Hydrogen atoms 27
Heteroatoms 8
N/O atoms 8
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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