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P-502602096

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Name File
SDF P-502602096.sdf
SMILES P-502602096.smiles
Standard InChI P-502602096.inchi
InChIKey P-502602096.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502602096 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 501.412
logP 4.6241
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 9
PSA 70.08
RO5 violations 1
RO3 violations 5
Refractivity 132.4353
Atoms 61
Rings 3
Heavy atoms 32
Hydrogen atoms 29
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
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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