이름: N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)nicotinamide
SMILES:
O=C(Nc1c[nH]c2ncc(Br)c(F)c12)c1cccnc1Molecular Processing
Molecular formula
C13H8BrFN4O
Molecular weight
335.14
Exact mass
333.9866
XLogP
3.11
TPSA
70.67
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
75.94
Supplementary Information
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