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P-502328775

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Name File
SDF P-502328775.sdf
SMILES P-502328775.smiles
Standard InChI P-502328775.inchi
InChIKey P-502328775.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502328775 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 221.809
logP 5.3683
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 10
PSA 26.02
RO5 violations 1
RO3 violations 2
Refractivity 69.4704
Atoms 42
Rings 0
Heavy atoms 14
Hydrogen atoms 28
Heteroatoms 2
N/O atoms 1
Inorganic atoms 0
Halogen atoms 1
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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