CC1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1
Название: 2,7,7-trimethyl-5H,7H-imidazo[4,5-h]isoquinoline-4,6-dione
SMILES: CC1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1

Molecular Processing

Molecular formula
C13H13N3O2
Molecular weight
243.27
Exact mass
243.1008
XLogP
1.13
TPSA
71.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
0
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.26

Supplementary Information

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