Name: (R)-2-(5-Bromo-thiophene-2-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid
SMILES:
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)s1Molecular Processing
Molecular formula
C15H13BrN2O4S2
Molecular weight
429.32
Exact mass
427.95
XLogP
2.97
TPSA
99.26
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
95.77
Supplementary Information
Details werden geladen…
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