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P-503405149

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Name File
SDF P-503405149.sdf
SMILES P-503405149.smiles
Standard InChI P-503405149.inchi
InChIKey P-503405149.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503405149 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 402.808
logP 3.3274
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 5
PSA 141.36
RO5 violations 0
RO3 violations 5
Refractivity 106.5903
Atoms 38
Rings 3
Heavy atoms 27
Hydrogen atoms 11
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
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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