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UNKNOWN STEREO

P-580039713

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  1. InChIKey:
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Name File
SDF P-580039713.sdf
SMILES P-580039713.smiles
Standard InChI P-580039713.inchi
InChIKey P-580039713.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580039713 Innovapharm Screening Compounds 90 in stock
Property Value
Components 1
Mass 414.404
logP 2.4092
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 4
PSA 92.68
RO5 violations 0
RO3 violations 4
Refractivity 103.8468
Atoms 52
Rings 5
Heavy atoms 30
Hydrogen atoms 22
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 4
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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