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P-502365500

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Name File
SDF P-502365500.sdf
SMILES P-502365500.smiles
Standard InChI P-502365500.inchi
InChIKey P-502365500.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502365500 TimTec Building Block Collection 90 in stock
Property Value
Components 2
Mass 388.457
logP 0.1073
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 9
PSA 103.99
RO5 violations 0
RO3 violations 4
Refractivity 105.79
Atoms 56
Rings 2
Heavy atoms 28
Hydrogen atoms 28
Heteroatoms 7
N/O atoms 7
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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