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P-504273420

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Name File
SDF P-504273420.sdf
SMILES P-504273420.smiles
Standard InChI P-504273420.inchi
InChIKey P-504273420.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504273420 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 271.343
logP 2.6061
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 2
PSA 83.35
RO5 violations 0
RO3 violations 2
Refractivity 78.0847
Atoms 32
Rings 4
Heavy atoms 19
Hydrogen atoms 13
Heteroatoms 6
N/O atoms 5
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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