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  1. InChIKey:
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Name File
SDF P-675519874.sdf
SMILES P-675519874.smiles
Standard InChI P-675519874.inchi
InChIKey P-675519874.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-675519874 Innovapharm Virtual Screening Compounds 90 by synthesis
Property Value
Components 1
Mass 316.352
logP 4.2308
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 5
PSA 55.13
RO5 violations 0
RO3 violations 4
Refractivity 93.5837
Atoms 40
Rings 4
Heavy atoms 24
Hydrogen atoms 16
Heteroatoms 4
N/O atoms 4
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