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P-854959030

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Name File
SDF P-854959030.sdf
SMILES P-854959030.smiles
Standard InChI P-854959030.inchi
InChIKey P-854959030.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854959030 Toronto Research In stock 90 in stock
Property Value
Components 3
Mass 448.378
logP -2.4103
H-bond acceptors 14
H-bond donors 9
Rotatable bonds 7
PSA 255.04
RO5 violations 2
RO3 violations 5
Refractivity 102.6451
Atoms 55
Rings 2
Heavy atoms 31
Hydrogen atoms 24
Heteroatoms 14
N/O atoms 14
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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