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P-489221610

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Name File
SDF P-489221610.sdf
SMILES P-489221610.smiles
Standard InChI P-489221610.inchi
InChIKey P-489221610.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-489221610 Amadis Chemical Company Limited Amadis Chemical General Catalog 97 in stock
Property Value
Components 2
Mass 650.603
logP 4.482
H-bond acceptors 12
H-bond donors 3
Rotatable bonds 7
PSA 151.81
RO5 violations 2
RO3 violations 5
Refractivity 174.5933
Atoms 76
Rings 6
Heavy atoms 47
Hydrogen atoms 29
Heteroatoms 15
N/O atoms 12
Inorganic atoms 0
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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