COC(=O)c1cc(N(C)S(C)(=O)=O)c2cc[nH]c2c1
名称: methyl 4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylate
SMILES: COC(=O)c1cc(N(C)S(C)(=O)=O)c2cc[nH]c2c1

Molecular Processing

Molecular formula
C12H14N2O4S
Molecular weight
282.32
Exact mass
282.0674
XLogP
1.35
TPSA
79.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
72.89

Supplementary Information

InChIKey: DGYZGFGGPKDOOU-UHFFFAOYSA-N
同義語
SCHEMBL3351184DGYZGFGGPKDOOU-UHFFFAOYSA-Nmethyl 4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylate
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