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P-502372680

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Name File
SDF P-502372680.sdf
SMILES P-502372680.smiles
Standard InChI P-502372680.inchi
InChIKey P-502372680.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502372680 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 177.199
logP 1.58348
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 4
PSA 42.25
RO5 violations 0
RO3 violations 1
Refractivity 48.348
Atoms 24
Rings 1
Heavy atoms 13
Hydrogen atoms 11
Heteroatoms 3
N/O atoms 3
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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