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P-22613197

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Name File
SDF P-22613197.sdf
SMILES P-22613197.smiles
Standard InChI P-22613197.inchi
InChIKey P-22613197.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-22613197 TimTec ActiMol 3 Week 90 in stock
Property Value
Components 1
Mass 396.440
logP 4.24698
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 1
PSA 99.22
RO5 violations 0
RO3 violations 4
Refractivity 119.0241
Atoms 50
Rings 5
Heavy atoms 30
Hydrogen atoms 20
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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