COc1cccc(S(=O)(=O)c2cccc(N)c2C#N)c1
الاسم: 2-amino-6-[(3-methoxyphenyl)sulfonyl]benzonitrile
SMILES: COc1cccc(S(=O)(=O)c2cccc(N)c2C#N)c1

Molecular Processing

Molecular formula
C14H12N2O3S
Molecular weight
288.33
Exact mass
288.0569
XLogP
1.98
TPSA
93.18
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
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
0.071
Molar refractivity
74.02

Supplementary Information

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