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P-502805702

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Name File
SDF P-502805702.sdf
SMILES P-502805702.smiles
Standard InChI P-502805702.inchi
InChIKey P-502805702.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502805702 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 455.871
logP 5.014
H-bond acceptors 8
H-bond donors 0
Rotatable bonds 4
PSA 123.91
RO5 violations 1
RO3 violations 5
Refractivity 123.314
Atoms 45
Rings 5
Heavy atoms 31
Hydrogen atoms 14
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 1
Chiral centers 3
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 3
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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