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P-502685965

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Name File
SDF P-502685965.sdf
SMILES P-502685965.smiles
Standard InChI P-502685965.inchi
InChIKey P-502685965.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502685965 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 315.320
logP 2.2174
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 7
PSA 95.86
RO5 violations 0
RO3 violations 4
Refractivity 83.826
Atoms 40
Rings 2
Heavy atoms 23
Hydrogen atoms 17
Heteroatoms 6
N/O atoms 6
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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