Name: 4-guanidinobenzoic acid 3,5-dioxo-4-azatricyclo[5,2,1,0 2,6]deca-8-en-4-ylester
SMILES:
N=C(N)Nc1ccc(C(=O)ON2C(=O)C3C4C=CC(C4)C3C2=O)cc1Molecular Processing
Molecular formula
C17H16N4O4
Molecular weight
340.34
Exact mass
340.1172
XLogP
0.87
TPSA
125.58
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
86.96
Supplementary Information
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