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P-502806515

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Name File
SDF P-502806515.sdf
SMILES P-502806515.smiles
Standard InChI P-502806515.inchi
InChIKey P-502806515.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502806515 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 245.277
logP 0.3657
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 1
PSA 52.65
RO5 violations 0
RO3 violations 1
Refractivity 76.7607
Atoms 33
Rings 3
Heavy atoms 18
Hydrogen atoms 15
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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