الاسم: 5-amino-4-carboxy-1-ethoxyisoquinoline
SMILES:
CCOc1ncc(C(=O)O)c2c(N)cccc12Molecular Processing
Molecular formula
C12H12N2O3
Molecular weight
232.24
Exact mass
232.0848
XLogP
1.91
TPSA
85.44
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
64.28
Supplementary Information
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