이름: ethyl 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILES:
CCn1c(C(=O)O)cc2c(Br)ccnc21Molecular Processing
Molecular formula
C10H9BrN2O2
Molecular weight
269.1
Exact mass
267.9847
XLogP
2.52
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
60.07
Supplementary Information
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