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P-5173000

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Name File
SDF P-5173000.sdf
SMILES P-5173000.smiles
Standard InChI P-5173000.inchi
InChIKey P-5173000.txt
Property Value
Components 1
Mass 433.497
logP 3.1274
H-bond acceptors 9
H-bond donors 2
Rotatable bonds 7
PSA 106.2
RO5 violations 0
RO3 violations 5
Refractivity 122.9744
Atoms 62
Rings 3
Heavy atoms 31
Hydrogen atoms 31
Heteroatoms 9
N/O atoms 9
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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