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P-502703146

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Name File
SDF P-502703146.sdf
SMILES P-502703146.smiles
Standard InChI P-502703146.inchi
InChIKey P-502703146.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502703146 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 425.474
logP 4.9175
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 6
PSA 59.75
RO5 violations 0
RO3 violations 4
Refractivity 127.4215
Atoms 55
Rings 5
Heavy atoms 32
Hydrogen atoms 23
Heteroatoms 5
N/O atoms 5
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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