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P-606956412

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Name File
SDF P-606956412.sdf
SMILES P-606956412.smiles
Standard InChI P-606956412.inchi
InChIKey P-606956412.txt
Property Value
Components 4
Mass 402.744
logP 4.689
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 3
PSA 48.05
RO5 violations 0
RO3 violations 3
Refractivity 115.5307
Atoms 47
Rings 4
Heavy atoms 25
Hydrogen atoms 22
Heteroatoms 8
N/O atoms 5
Inorganic atoms 0
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
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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