CC(C)(C)NC(=O)c1[nH]c2ccc(Br)cc2c1CC(=O)O
名称: 2-(5-bromo-2-(tert-butylcarbamoyl)-1H-indol-3-yl)acetic acid
SMILES: CC(C)(C)NC(=O)c1[nH]c2ccc(Br)cc2c1CC(=O)O

Molecular Processing

Molecular formula
C15H17BrN2O3
Molecular weight
353.22
Exact mass
352.0423
XLogP
3.09
TPSA
82.19
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
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
0.333
Molar refractivity
84.56

Supplementary Information

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