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P-502593982

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Name File
SDF P-502593982.sdf
SMILES P-502593982.smiles
Standard InChI P-502593982.inchi
InChIKey P-502593982.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502593982 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 371.477
logP 4.5701
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 4
PSA 107.16
RO5 violations 0
RO3 violations 5
Refractivity 109.759
Atoms 42
Rings 3
Heavy atoms 25
Hydrogen atoms 17
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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