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UNKNOWN STEREO

P-500373233

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Name File
SDF P-500373233.sdf
SMILES P-500373233.smiles
Standard InChI P-500373233.inchi
InChIKey P-500373233.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500373233 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 419.903
logP 4.0398
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 4
PSA 140.76
RO5 violations 0
RO3 violations 5
Refractivity 103.1796
Atoms 44
Rings 3
Heavy atoms 26
Hydrogen atoms 18
Heteroatoms 10
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 1
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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