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P-458973916

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Name File
SDF P-458973916.sdf
SMILES P-458973916.smiles
Standard InChI P-458973916.inchi
InChIKey P-458973916.txt
Property Value
Components 1
Mass 306.387
logP 3.3514
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 81.88
RO5 violations 0
RO3 violations 4
Refractivity 89.8
Atoms 36
Rings 4
Heavy atoms 22
Hydrogen atoms 14
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
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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