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P-503880308

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Name File
SDF P-503880308.sdf
SMILES P-503880308.smiles
Standard InChI P-503880308.inchi
InChIKey P-503880308.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503880308 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 3
Mass 538.547
logP 1.404
H-bond acceptors 14
H-bond donors 8
Rotatable bonds 11
PSA 243.76
RO5 violations 3
RO3 violations 5
Refractivity 133.9734
Atoms 72
Rings 2
Heavy atoms 38
Hydrogen atoms 34
Heteroatoms 14
N/O atoms 14
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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