Name: 7-amino-4,4-dimethyl-8-nitroisoquinoline-1,3(2H,4H)-dione
SMILES:
CC1(C)C(=O)NC(=O)c2c1ccc(N)c2[N+](=O)[O-]Molecular Processing
Molecular formula
C11H11N3O4
Molecular weight
249.23
Exact mass
249.075
XLogP
0.72
TPSA
115.33
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
63.01
Supplementary Information
Details werden geladen…
An 10 Reaktionen beteiligt→