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P-502830794

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Name File
SDF P-502830794.sdf
SMILES P-502830794.smiles
Standard InChI P-502830794.inchi
InChIKey P-502830794.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502830794 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 338.425
logP 4.3669
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 65.92
RO5 violations 0
RO3 violations 4
Refractivity 103.442
Atoms 42
Rings 3
Heavy atoms 24
Hydrogen atoms 18
Heteroatoms 5
N/O atoms 4
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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