Name: N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(trifluoromethyl)cyclopropanecarboxamide
SMILES:
O=C(Nc1c[nH]c2ncc(Br)c(F)c12)C1(C(F)(F)F)CC1Molecular Processing
Molecular formula
C12H8BrF4N3O
Molecular weight
366.11
Exact mass
364.9787
XLogP
3.75
TPSA
57.78
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.1
Supplementary Information
Details werden geladen…
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