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P-890851230

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Name File
SDF P-890851230.sdf
SMILES P-890851230.smiles
Standard InChI P-890851230.inchi
InChIKey P-890851230.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-890851230 Innovapharm Screening Compounds 90 in stock
Property Value
Components 2
Mass 541.903
logP 7.0858
H-bond acceptors 10
H-bond donors 10
Rotatable bonds 17
PSA 167.58
RO5 violations 3
RO3 violations 6
Refractivity 150.392
Atoms 66
Rings 2
Heavy atoms 35
Hydrogen atoms 31
Heteroatoms 13
N/O atoms 10
Inorganic atoms 0
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 4
Cis/trans stereo double bonds 0
Unknown stereo double bonds 4
Undefined stereo double bonds 0
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