الاسم: compound 6a
SMILES:
C[n+]1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1.[I-]Molecular Processing
Molecular formula
C15H17IN2O3
Molecular weight
400.22
Exact mass
400.0284
XLogP
-2.1
TPSA
73.44
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
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
73.43
Supplementary Information
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