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P-503438573

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Name File
SDF P-503438573.sdf
SMILES P-503438573.smiles
Standard InChI P-503438573.inchi
InChIKey P-503438573.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503438573 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 462.472
logP 3.3621
H-bond acceptors 8
H-bond donors 0
Rotatable bonds 7
PSA 95.03
RO5 violations 0
RO3 violations 5
Refractivity 125.021
Atoms 57
Rings 4
Heavy atoms 34
Hydrogen atoms 23
Heteroatoms 9
N/O atoms 8
Inorganic atoms 0
Halogen atoms 1
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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