CCOC(=O)C(C#N)c1cc(N)c([N+](=O)[O-])cc1I
SMILES: CCOC(=O)C(C#N)c1cc(N)c([N+](=O)[O-])cc1I

Molecular Processing

Molecular formula
C11H10IN3O4
Molecular weight
375.12
Exact mass
374.9716
XLogP
1.95
TPSA
119.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
75.21

Supplementary Information

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