O=C(O)c1cccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12
Name: 6-(3,5-dichloro-phenylsulphonylamino)-naphthalene-1-carboxylic acid
SMILES: O=C(O)c1cccc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc12

Molecular Processing

Molecular formula
C17H11Cl2NO4S
Molecular weight
396.25
Exact mass
394.9786
XLogP
4.65
TPSA
83.47
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
98.18

Supplementary Information

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