SMILES:
Cc1nn(C)c(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21Molecular Processing
Molecular formula
C17H16BrN5O
Molecular weight
386.25
Exact mass
385.0538
XLogP
2.99
TPSA
57.64
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
97.76
Supplementary Information
Details werden geladen…
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