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P-502702761

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Name File
SDF P-502702761.sdf
SMILES P-502702761.smiles
Standard InChI P-502702761.inchi
InChIKey P-502702761.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502702761 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 399.551
logP 3.6274
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 10
PSA 69.06
RO5 violations 0
RO3 violations 5
Refractivity 121.6517
Atoms 57
Rings 3
Heavy atoms 28
Hydrogen atoms 29
Heteroatoms 6
N/O atoms 5
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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