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P-425203615

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Name File
SDF P-425203615.sdf
SMILES P-425203615.smiles
Standard InChI P-425203615.inchi
InChIKey P-425203615.txt
Property Value
Components 1
Mass 297.347
logP 2.556
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 2
PSA 47.56
RO5 violations 0
RO3 violations 1
Refractivity 87.4827
Atoms 41
Rings 4
Heavy atoms 22
Hydrogen atoms 19
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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