Name: 2-benzothiazole terephthalic acid
SMILES:
O=C(O)c1ccc(C(=O)O)c(-c2nc3ccccc3s2)c1Molecular Processing
Molecular formula
C15H9NO4S
Molecular weight
299.31
Exact mass
299.0252
XLogP
3.36
TPSA
87.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
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
78.97
Supplementary Information
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