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P-502644580

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Name File
SDF P-502644580.sdf
SMILES P-502644580.smiles
Standard InChI P-502644580.inchi
InChIKey P-502644580.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502644580 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 311.356
logP 4.0011
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 3
PSA 71.91
RO5 violations 0
RO3 violations 4
Refractivity 90.761
Atoms 35
Rings 3
Heavy atoms 22
Hydrogen atoms 13
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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