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P-596304080

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Name File
SDF P-596304080.sdf
SMILES P-596304080.smiles
Standard InChI P-596304080.inchi
InChIKey P-596304080.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-596304080 Asinex General screening catalog 90 unavailable
Property Value
Components 1
Mass 400.386
logP 4.2548
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 6
PSA 107.59
RO5 violations 0
RO3 violations 5
Refractivity 116.1472
Atoms 46
Rings 4
Heavy atoms 30
Hydrogen atoms 16
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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