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P-485295403

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Name File
SDF P-485295403.sdf
SMILES P-485295403.smiles
Standard InChI P-485295403.inchi
InChIKey P-485295403.txt
Property Value
Components 1
Mass 462.507
logP 0.1032
H-bond acceptors 11
H-bond donors 3
Rotatable bonds 8
PSA 201.14
RO5 violations 1
RO3 violations 4
Refractivity 114.3853
Atoms 49
Rings 4
Heavy atoms 31
Hydrogen atoms 18
Heteroatoms 13
N/O atoms 11
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
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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