SMILES:
O=c1ccc2ncc(Br)cc2n1CC1OCCO1Molecular Processing
Molecular formula
C12H11BrN2O3
Molecular weight
311.14
Exact mass
309.9953
XLogP
1.53
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
69.4
Supplementary Information
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