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P-502408252

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Name File
SDF P-502408252.sdf
SMILES P-502408252.smiles
Standard InChI P-502408252.inchi
InChIKey P-502408252.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502408252 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 253.226
logP 0.4236
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 3
PSA 77.84
RO5 violations 0
RO3 violations 2
Refractivity 63.4531
Atoms 30
Rings 2
Heavy atoms 18
Hydrogen atoms 12
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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