Name: 4,5-diaminophthalic acid
SMILES:
Nc1cc(C(=O)O)c(C(=O)O)cc1NMolecular Processing
Molecular formula
C8H8N2O4
Molecular weight
196.16
Exact mass
196.0484
XLogP
0.25
TPSA
126.64
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
49.19
Supplementary Information
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