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P-502355888

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Name File
SDF P-502355888.sdf
SMILES P-502355888.smiles
Standard InChI P-502355888.inchi
InChIKey P-502355888.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502355888 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 193.285
logP 3.1467
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 5
PSA 21.26
RO5 violations 0
RO3 violations 2
Refractivity 59.9297
Atoms 33
Rings 1
Heavy atoms 14
Hydrogen atoms 19
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
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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