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  1. InChIKey:
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Name File
SDF P-3246505.sdf
SMILES P-3246505.smiles
Standard InChI P-3246505.inchi
InChIKey P-3246505.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3246505 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 15.3 g
Property Value
Components 1
Mass 171.154
logP 0.6152
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 3
PSA 83.87
RO5 violations 0
RO3 violations 2
Refractivity 43.2458
Atoms 21
Rings 1
Heavy atoms 12
Hydrogen atoms 9
Heteroatoms 6
N/O atoms 6
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