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P-504216145

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Name File
SDF P-504216145.sdf
SMILES P-504216145.smiles
Standard InChI P-504216145.inchi
InChIKey P-504216145.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504216145 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 498.884
logP 5.5343
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 6
PSA 126.61
RO5 violations 1
RO3 violations 5
Refractivity 109.0587
Atoms 45
Rings 3
Heavy atoms 31
Hydrogen atoms 14
Heteroatoms 14
N/O atoms 8
Inorganic atoms 0
Halogen atoms 4
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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