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UNKNOWN STEREO

P-861285846

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Name File
SDF P-861285846.sdf
SMILES P-861285846.smiles
Standard InChI P-861285846.inchi
InChIKey P-861285846.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-861285846 Chiralstar Chiralstar Building Blocks 95 in stock
Property Value
Components 3
Mass 551.145
logP -0.1714
H-bond acceptors 18
H-bond donors 5
Rotatable bonds 8
PSA 314.22
RO5 violations 2
RO3 violations 5
Refractivity 92.3401
Atoms 47
Rings 3
Heavy atoms 33
Hydrogen atoms 14
Heteroatoms 23
N/O atoms 18
Inorganic atoms 2
Halogen atoms 0
Chiral centers 4
R/S chiral centers 4
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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