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P-25739403

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Name File
SDF P-25739403.sdf
SMILES P-25739403.smiles
Standard InChI P-25739403.inchi
InChIKey P-25739403.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-25739403 Life Chemicals Screening Compounds 90 in stock
Property Value
Components 2
Mass 429.934
logP 5.9539
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 6
PSA 62.91
RO5 violations 1
RO3 violations 5
Refractivity 125.2295
Atoms 58
Rings 4
Heavy atoms 30
Hydrogen atoms 28
Heteroatoms 6
N/O atoms 5
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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