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P-502830809

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Name File
SDF P-502830809.sdf
SMILES P-502830809.smiles
Standard InChI P-502830809.inchi
InChIKey P-502830809.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502830809 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 333.179
logP 2.6649
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 4
PSA 74.71
RO5 violations 0
RO3 violations 4
Refractivity 75.8807
Atoms 28
Rings 2
Heavy atoms 18
Hydrogen atoms 10
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 2
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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