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  1. InChIKey:
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Name File
SDF P-580041890.sdf
SMILES P-580041890.smiles
Standard InChI P-580041890.inchi
InChIKey P-580041890.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580041890 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 361.367
logP 1.5469
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 2
PSA 75.01
RO5 violations 0
RO3 violations 3
Refractivity 101.8323
Atoms 46
Rings 4
Heavy atoms 26
Hydrogen atoms 20
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 1
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0