Name: {3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxy-methyl]-2,4-difluoro-phenyl}-carbamic acid methyl ester
SMILES:
COC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1FMolecular Processing
Molecular formula
C16H12BrF2N3O3
Molecular weight
412.19
Exact mass
411.003
XLogP
3.86
TPSA
87.24
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
90.24
Supplementary Information
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