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P-502770202

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Name File
SDF P-502770202.sdf
SMILES P-502770202.smiles
Standard InChI P-502770202.inchi
InChIKey P-502770202.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502770202 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 431.348
logP 5.24058
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 90.36
RO5 violations 1
RO3 violations 5
Refractivity 109.3897
Atoms 45
Rings 3
Heavy atoms 26
Hydrogen atoms 19
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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