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P-504263698

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Name File
SDF P-504263698.sdf
SMILES P-504263698.smiles
Standard InChI P-504263698.inchi
InChIKey P-504263698.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504263698 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 314.189
logP 4.5117
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 4
PSA 95.64
RO5 violations 0
RO3 violations 5
Refractivity 80.9221
Atoms 28
Rings 2
Heavy atoms 19
Hydrogen atoms 9
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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