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P-503461395

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Name File
SDF P-503461395.sdf
SMILES P-503461395.smiles
Standard InChI P-503461395.inchi
InChIKey P-503461395.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503461395 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 390.387
logP 2.1181
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 3
PSA 80.06
RO5 violations 0
RO3 violations 3
Refractivity 112.6385
Atoms 47
Rings 5
Heavy atoms 29
Hydrogen atoms 18
Heteroatoms 7
N/O atoms 7
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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