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P-502668199

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Name File
SDF P-502668199.sdf
SMILES P-502668199.smiles
Standard InChI P-502668199.inchi
InChIKey P-502668199.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502668199 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 469.483
logP 4.9121
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 5
PSA 78.21
RO5 violations 0
RO3 violations 5
Refractivity 133.6435
Atoms 58
Rings 6
Heavy atoms 35
Hydrogen atoms 23
Heteroatoms 7
N/O atoms 7
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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