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P-3239426

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Name File
SDF P-3239426.sdf
SMILES P-3239426.smiles
Standard InChI P-3239426.inchi
InChIKey P-3239426.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3239426 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 1.03 g
Property Value
Components 1
Mass 242.269
logP 3.7939
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 46.53
RO5 violations 0
RO3 violations 1
Refractivity 69.8493
Atoms 32
Rings 2
Heavy atoms 18
Hydrogen atoms 14
Heteroatoms 3
N/O atoms 3
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
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