이름: 2-amino-4,6-dimethoxybenzoic acid
SMILES:
COc1cc(N)c(C(=O)O)c(OC)c1Molecular Processing
Molecular formula
C9H11NO4
Molecular weight
197.19
Exact mass
197.0688
XLogP
0.98
TPSA
81.78
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
50.92
Supplementary Information
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