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P-502335845

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Name File
SDF P-502335845.sdf
SMILES P-502335845.smiles
Standard InChI P-502335845.inchi
InChIKey P-502335845.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-502335845 TimTec Building Block Collection 90 in stock February 1, 2015
Property Value
Components 1
Mass 335.870
logP 3.856
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 9
PSA 48.39
RO5 violations 0
RO3 violations 4
Refractivity 98.5725
Atoms 49
Rings 2
Heavy atoms 23
Hydrogen atoms 26
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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