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P-18448626

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Name File
SDF P-18448626.sdf
SMILES P-18448626.smiles
Standard InChI P-18448626.inchi
InChIKey P-18448626.txt
Property Value
Components 1
Mass 402.335
logP 2.8728
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 8
PSA 70.39
RO5 violations 0
RO3 violations 4
Refractivity 86.0395
Atoms 47
Rings 2
Heavy atoms 27
Hydrogen atoms 20
Heteroatoms 12
N/O atoms 6
Inorganic atoms 0
Halogen atoms 6
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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