SMILES:
CCN(CC)c1ccc2oc(=O)c(-c3[nH+]c4ccccc4s3)cc2c1.[Br-]Molecular Processing
Molecular formula
C20H19BrN2O2S
Molecular weight
431.36
Exact mass
430.0351
XLogP
1.34
TPSA
47.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
103.42
Supplementary Information
Details werden geladen…
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