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P-505411580

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Name File
SDF P-505411580.sdf
SMILES P-505411580.smiles
Standard InChI P-505411580.inchi
InChIKey P-505411580.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-505411580 BOCSCI All products 97 in stock July 6, 2017
Property Value
Components 2
Mass 317.291
logP -1.0867
H-bond acceptors 9
H-bond donors 7
Rotatable bonds 6
PSA 167.55
RO5 violations 1
RO3 violations 5
Refractivity 74.2177
Atoms 41
Rings 1
Heavy atoms 22
Hydrogen atoms 19
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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