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P-33481726

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Name File
SDF P-33481726.sdf
SMILES P-33481726.smiles
Standard InChI P-33481726.inchi
InChIKey P-33481726.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-33481726 TimTec ActiMol 3 Week 90 in stock April 1, 2014
Property Value
Components 2
Mass 417.498
logP 1.9909
H-bond acceptors 8
H-bond donors 3
Rotatable bonds 6
PSA 110.18
RO5 violations 0
RO3 violations 4
Refractivity 123.1073
Atoms 61
Rings 3
Heavy atoms 30
Hydrogen atoms 31
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
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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