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P-502598575

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Name File
SDF P-502598575.sdf
SMILES P-502598575.smiles
Standard InChI P-502598575.inchi
InChIKey P-502598575.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502598575 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 393.474
logP 5.1519
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 6
PSA 62.91
RO5 violations 1
RO3 violations 5
Refractivity 118.2645
Atoms 56
Rings 4
Heavy atoms 29
Hydrogen atoms 27
Heteroatoms 5
N/O atoms 5
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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