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P-503062345

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Name File
SDF P-503062345.sdf
SMILES P-503062345.smiles
Standard InChI P-503062345.inchi
InChIKey P-503062345.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503062345 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 407.458
logP 3.7224
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 9
PSA 76.07
RO5 violations 0
RO3 violations 5
Refractivity 117.6433
Atoms 55
Rings 3
Heavy atoms 30
Hydrogen atoms 25
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
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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