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P-3243133

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Name File
SDF P-3243133.sdf
SMILES P-3243133.smiles
Standard InChI P-3243133.inchi
InChIKey P-3243133.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-3243133 VITAS M CHEMICAL LIMITED Collections of Fragments for Fragment-based Drug Discovery 90 189 mg
Property Value
Components 1
Mass 173.213
logP 0.0933
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 3
PSA 71.08
RO5 violations 0
RO3 violations 2
Refractivity 48.6669
Atoms 27
Rings 1
Heavy atoms 12
Hydrogen atoms 15
Heteroatoms 5
N/O atoms 5
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 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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