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P-503880311

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Name File
SDF P-503880311.sdf
SMILES P-503880311.smiles
Standard InChI P-503880311.inchi
InChIKey P-503880311.txt
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-503880311 Innovapharm Virtual Screening Compounds 90 by synthesis August 21, 2017
Property Value
Components 3
Mass 510.494
logP 0.7872
H-bond acceptors 14
H-bond donors 8
Rotatable bonds 11
PSA 243.76
RO5 violations 3
RO3 violations 5
Refractivity 124.041
Atoms 66
Rings 2
Heavy atoms 36
Hydrogen atoms 30
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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