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P-33404567

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Name File
SDF P-33404567.sdf
SMILES P-33404567.smiles
Standard InChI P-33404567.inchi
InChIKey P-33404567.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-33404567 TimTec ActiMol 2 Week 90 in stock
Property Value
Components 2
Mass 609.686
logP 3.3148
H-bond acceptors 12
H-bond donors 4
Rotatable bonds 18
PSA 205.43
RO5 violations 2
RO3 violations 6
Refractivity 156.5782
Atoms 81
Rings 2
Heavy atoms 42
Hydrogen atoms 39
Heteroatoms 13
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
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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