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P-502365075

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Name File
SDF P-502365075.sdf
SMILES P-502365075.smiles
Standard InChI P-502365075.inchi
InChIKey P-502365075.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502365075 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 241.240
logP 1.2305
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 7
PSA 91.01
RO5 violations 0
RO3 violations 3
Refractivity 59.3902
Atoms 32
Rings 1
Heavy atoms 17
Hydrogen atoms 15
Heteroatoms 6
N/O atoms 6
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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