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P-502753275

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Name File
SDF P-502753275.sdf
SMILES P-502753275.smiles
Standard InChI P-502753275.inchi
InChIKey P-502753275.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-502753275 Innovapharm Screening Compounds 90 in stock August 21, 2017
Property Value
Components 1
Mass 445.876
logP 4.2343
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 7
PSA 115.86
RO5 violations 0
RO3 violations 5
Refractivity 108.1692
Atoms 46
Rings 4
Heavy atoms 30
Hydrogen atoms 16
Heteroatoms 10
N/O atoms 8
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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