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P-12718120

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Name File
SDF P-12718120.sdf
SMILES P-12718120.smiles
Standard InChI P-12718120.inchi
InChIKey P-12718120.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-12718120 InterBioScreen Screening Compounds 92 unavailable
Property Value
Components 1
Mass 442.448
logP 4.7932
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 4
PSA 145.41
RO5 violations 0
RO3 violations 5
Refractivity 126.3797
Atoms 46
Rings 5
Heavy atoms 32
Hydrogen atoms 14
Heteroatoms 9
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 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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