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P-502351818

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Name File
SDF P-502351818.sdf
SMILES P-502351818.smiles
Standard InChI P-502351818.inchi
InChIKey P-502351818.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502351818 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 278.329
logP 2.7419
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 4
PSA 93.06
RO5 violations 0
RO3 violations 3
Refractivity 78.7197
Atoms 33
Rings 2
Heavy atoms 19
Hydrogen atoms 14
Heteroatoms 6
N/O atoms 5
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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