SMILES:
CCNC(=O)Nc1cc(-c2ccc(F)nc2)c(Br)cn1Molecular Processing
Molecular formula
C13H12BrFN4O
Molecular weight
339.17
Exact mass
338.0179
XLogP
3.19
TPSA
66.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
77.82
Supplementary Information
Details werden geladen…
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