이름: 3-amino-5-(methoxycarbonyl)benzoic acid
SMILES:
COC(=O)c1cc(N)cc(C(=O)O)c1Molecular Processing
Molecular formula
C9H9NO4
Molecular weight
195.17
Exact mass
195.0532
XLogP
0.75
TPSA
89.62
H-bond donors
2
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
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
49.15
Supplementary Information
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