Name: 1-(3,4-dimethoxy-5-nitrobenzoyl)imidazole
SMILES:
COc1cc(C(=O)n2ccnc2)cc([N+](=O)[O-])c1OCMolecular Processing
Molecular formula
C12H11N3O5
Molecular weight
277.24
Exact mass
277.0699
XLogP
1.5
TPSA
96.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
68.16
Supplementary Information
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