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P-502843099

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Name File
SDF P-502843099.sdf
SMILES P-502843099.smiles
Standard InChI P-502843099.inchi
InChIKey P-502843099.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502843099 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 437.444
logP 2.9506
H-bond acceptors 9
H-bond donors 1
Rotatable bonds 8
PSA 106.53
RO5 violations 0
RO3 violations 4
Refractivity 125.3127
Atoms 55
Rings 3
Heavy atoms 32
Hydrogen atoms 23
Heteroatoms 9
N/O atoms 9
Inorganic atoms 0
Halogen atoms 0
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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