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P-502675516

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Name File
SDF P-502675516.sdf
SMILES P-502675516.smiles
Standard InChI P-502675516.inchi
InChIKey P-502675516.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502675516 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 516.998
logP 5.0568
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 8
PSA 111.71
RO5 violations 2
RO3 violations 5
Refractivity 143.47
Atoms 57
Rings 5
Heavy atoms 36
Hydrogen atoms 21
Heteroatoms 9
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
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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