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P-502935504

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Name File
SDF P-502935504.sdf
SMILES P-502935504.smiles
Standard InChI P-502935504.inchi
InChIKey P-502935504.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502935504 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 427.853
logP 3.6621
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 3
PSA 65.64
RO5 violations 0
RO3 violations 4
Refractivity 118.5647
Atoms 49
Rings 5
Heavy atoms 30
Hydrogen atoms 19
Heteroatoms 8
N/O atoms 6
Inorganic atoms 0
Halogen atoms 2
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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