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P-503061000

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Name File
SDF P-503061000.sdf
SMILES P-503061000.smiles
Standard InChI P-503061000.inchi
InChIKey P-503061000.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503061000 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 423.504
logP 3.255
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 8
PSA 82.97
RO5 violations 0
RO3 violations 5
Refractivity 122.5303
Atoms 60
Rings 3
Heavy atoms 31
Hydrogen atoms 29
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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