SMILES:
COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1Molecular Processing
Molecular formula
C17H20BrN3O2
Molecular weight
378.27
Exact mass
377.0739
XLogP
3.15
TPSA
69.2
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
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
93.18
Supplementary Information
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