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P-503481642

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Name File
SDF P-503481642.sdf
SMILES P-503481642.smiles
Standard InChI P-503481642.inchi
InChIKey P-503481642.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503481642 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 379.332
logP 2.86738
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 6
PSA 82.43
RO5 violations 0
RO3 violations 4
Refractivity 93.8027
Atoms 43
Rings 2
Heavy atoms 27
Hydrogen atoms 16
Heteroatoms 9
N/O atoms 6
Inorganic atoms 0
Halogen atoms 3
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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