Nombre: 3-[(Thiophen-2-ylmethyl)-amino]-phthalic acid
SMILES:
O=C(O)c1cccc(NCc2cccs2)c1C(=O)OMolecular Processing
Molecular formula
C13H11NO4S
Molecular weight
277.3
Exact mass
277.0409
XLogP
2.76
TPSA
86.63
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
72.01
Supplementary Information
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