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P-502705453

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Name File
SDF P-502705453.sdf
SMILES P-502705453.smiles
Standard InChI P-502705453.inchi
InChIKey P-502705453.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502705453 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 477.594
logP 6.0332
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 12
PSA 87.68
RO5 violations 1
RO3 violations 5
Refractivity 141.8312
Atoms 70
Rings 4
Heavy atoms 35
Hydrogen atoms 35
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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