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P-503035609

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Name File
SDF P-503035609.sdf
SMILES P-503035609.smiles
Standard InChI P-503035609.inchi
InChIKey P-503035609.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503035609 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 334.435
logP 3.3448
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 6
PSA 91.68
RO5 violations 0
RO3 violations 5
Refractivity 101.0844
Atoms 45
Rings 2
Heavy atoms 23
Hydrogen atoms 22
Heteroatoms 6
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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