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P-890852454

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Name File
SDF P-890852454.sdf
SMILES P-890852454.smiles
Standard InChI P-890852454.inchi
InChIKey P-890852454.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-890852454 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 425.909
logP 4.1157
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 5
PSA 79.34
RO5 violations 0
RO3 violations 5
Refractivity 122.471
Atoms 54
Rings 5
Heavy atoms 30
Hydrogen atoms 24
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
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
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