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P-504022115

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Name File
SDF P-504022115.sdf
SMILES P-504022115.smiles
Standard InChI P-504022115.inchi
InChIKey P-504022115.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504022115 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 2
Mass 301.248
logP 0.5817
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 4
PSA 77.51
RO5 violations 0
RO3 violations 4
Refractivity 80.6515
Atoms 35
Rings 3
Heavy atoms 23
Hydrogen atoms 12
Heteroatoms 6
N/O atoms 5
Inorganic atoms 1
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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