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P-502711417

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Name File
SDF P-502711417.sdf
SMILES P-502711417.smiles
Standard InChI P-502711417.inchi
InChIKey P-502711417.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502711417 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 335.423
logP 2.3745
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 7
PSA 96.3
RO5 violations 0
RO3 violations 4
Refractivity 97.0687
Atoms 44
Rings 2
Heavy atoms 23
Hydrogen atoms 21
Heteroatoms 7
N/O atoms 6
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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