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P-454778069

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Name File
SDF P-454778069.sdf
SMILES P-454778069.smiles
Standard InChI P-454778069.inchi
InChIKey P-454778069.txt
Property Value
Components 2
Mass 315.294
logP 0.4564
H-bond acceptors 7
H-bond donors 5
Rotatable bonds 4
PSA 127.09
RO5 violations 0
RO3 violations 5
Refractivity 77.5989
Atoms 40
Rings 2
Heavy atoms 22
Hydrogen atoms 18
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 3
R/S chiral centers 3
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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