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P-504189344

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Name File
SDF P-504189344.sdf
SMILES P-504189344.smiles
Standard InChI P-504189344.inchi
InChIKey P-504189344.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504189344 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 280.277
logP 2.032
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 0
PSA 58.64
RO5 violations 0
RO3 violations 1
Refractivity 82.5222
Atoms 33
Rings 4
Heavy atoms 21
Hydrogen atoms 12
Heteroatoms 5
N/O atoms 5
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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