Name: Aryl iodide
SMILES:
O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2)nn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C19H14ClN5O2S
Molecular weight
411.87
Exact mass
411.0557
XLogP
3.06
TPSA
81.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
107.46
Supplementary Information
Details werden geladen…
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