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P-854622216

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Name File
SDF P-854622216.sdf
SMILES P-854622216.smiles
Standard InChI P-854622216.inchi
InChIKey P-854622216.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854622216 Excenen Excenen compounds 98 in stock
Property Value
Components 2
Mass 431.506
logP 1.0314
H-bond acceptors 10
H-bond donors 4
Rotatable bonds 10
PSA 181.55
RO5 violations 0
RO3 violations 5
Refractivity 111.6612
Atoms 58
Rings 2
Heavy atoms 29
Hydrogen atoms 29
Heteroatoms 11
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
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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