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P-505457184

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Name File
SDF P-505457184.sdf
SMILES P-505457184.smiles
Standard InChI P-505457184.inchi
InChIKey P-505457184.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-505457184 BOCSCI All products 97 in stock July 6, 2017
Property Value
Components 3
Mass 515.861
logP 3.0264
H-bond acceptors 11
H-bond donors 7
Rotatable bonds 8
PSA 203.3
RO5 violations 3
RO3 violations 6
Refractivity 125.937
Atoms 64
Rings 2
Heavy atoms 32
Hydrogen atoms 32
Heteroatoms 14
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
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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