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P-504215441

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Name File
SDF P-504215441.sdf
SMILES P-504215441.smiles
Standard InChI P-504215441.inchi
InChIKey P-504215441.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-504215441 Innovapharm Virtual Screening Compounds 90 by synthesis August 21, 2017
Property Value
Components 1
Mass 320.412
logP 2.13588
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 6
PSA 123.94
RO5 violations 0
RO3 violations 4
Refractivity 85.6034
Atoms 42
Rings 2
Heavy atoms 22
Hydrogen atoms 20
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
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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