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P-489162486

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Name File
SDF P-489162486.sdf
SMILES P-489162486.smiles
Standard InChI P-489162486.inchi
InChIKey P-489162486.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-489162486 Amadis Chemical Company Limited Amadis Chemical General Catalog 97 in stock December 20, 2016
Property Value
Components 1
Mass 500.348
logP 5.8969
H-bond acceptors 7
H-bond donors 4
Rotatable bonds 8
PSA 102.93
RO5 violations 2
RO3 violations 6
Refractivity 129.7584
Atoms 54
Rings 4
Heavy atoms 34
Hydrogen atoms 20
Heteroatoms 10
N/O atoms 7
Inorganic atoms 0
Halogen atoms 3
Chiral centers 1
R/S chiral centers 1
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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