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P-502333745

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Name File
SDF P-502333745.sdf
SMILES P-502333745.smiles
Standard InChI P-502333745.inchi
InChIKey P-502333745.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502333745 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 307.197
logP -0.8356
H-bond acceptors 10
H-bond donors 4
Rotatable bonds 4
PSA 166.94
RO5 violations 0
RO3 violations 5
Refractivity 65.5963
Atoms 34
Rings 2
Heavy atoms 20
Hydrogen atoms 14
Heteroatoms 11
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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