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P-874582767

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Name File
SDF P-874582767.sdf
SMILES P-874582767.smiles
Standard InChI P-874582767.inchi
InChIKey P-874582767.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-874582767 ChemDiv Discovery Chemistry Library 90 unavailable
Property Value
Components 1
Mass 428.551
logP 5.0846
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 9
PSA 85.11
RO5 violations 1
RO3 violations 5
Refractivity 125.3917
Atoms 55
Rings 4
Heavy atoms 31
Hydrogen atoms 24
Heteroatoms 6
N/O atoms 5
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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