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P-611415117

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Name File
SDF P-611415117.sdf
SMILES P-611415117.smiles
Standard InChI P-611415117.inchi
InChIKey P-611415117.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611415117 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 400.315
logP 3.6974
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 4
PSA 115.0
RO5 violations 0
RO3 violations 5
Refractivity 99.9328
Atoms 36
Rings 2
Heavy atoms 22
Hydrogen atoms 14
Heteroatoms 7
N/O atoms 4
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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