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P-505473517

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Name File
SDF P-505473517.sdf
SMILES P-505473517.smiles
Standard InChI P-505473517.inchi
InChIKey P-505473517.txt
Property Value
Components 2
Mass 263.244
logP -1.5402
H-bond acceptors 8
H-bond donors 6
Rotatable bonds 4
PSA 161.31
RO5 violations 1
RO3 violations 4
Refractivity 59.4464
Atoms 35
Rings 1
Heavy atoms 18
Hydrogen atoms 17
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 4
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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