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P-22512437

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Name File
SDF P-22512437.sdf
SMILES P-22512437.smiles
Standard InChI P-22512437.inchi
InChIKey P-22512437.txt
Property Value
Components 2
Mass 404.456
logP 2.8958
H-bond acceptors 8
H-bond donors 5
Rotatable bonds 6
PSA 146.13
RO5 violations 0
RO3 violations 5
Refractivity 110.4276
Atoms 57
Rings 3
Heavy atoms 29
Hydrogen atoms 28
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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