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P-35052505

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Name File
SDF P-35052505.sdf
SMILES P-35052505.smiles
Standard InChI P-35052505.inchi
InChIKey P-35052505.txt
Property Value
Components 1
Mass 421.891
logP 4.0008
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 8
PSA 76.82
RO5 violations 0
RO3 violations 5
Refractivity 114.414
Atoms 54
Rings 3
Heavy atoms 29
Hydrogen atoms 25
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 2
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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