SMILES:
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1Molecular Processing
Molecular formula
C17H18BrF2N3
Molecular weight
382.25
Exact mass
381.0652
XLogP
4.19
TPSA
50.74
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
90.1
Supplementary Information
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