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P-612879439

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Name File
SDF P-612879439.sdf
SMILES P-612879439.smiles
Standard InChI P-612879439.inchi
InChIKey P-612879439.txt
Property Value
Components 1
Mass 398.393
logP 2.8825
H-bond acceptors 11
H-bond donors 2
Rotatable bonds 10
PSA 146.35
RO5 violations 1
RO3 violations 4
Refractivity 93.9884
Atoms 45
Rings 2
Heavy atoms 27
Hydrogen atoms 18
Heteroatoms 12
N/O atoms 11
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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