CCOC(=O)c1nc(C)cc(Br)c1C
SMILES: CCOC(=O)c1nc(C)cc(Br)c1C

Molecular Processing

Molecular formula
C10H12BrNO2
Molecular weight
258.11
Exact mass
257.0051
XLogP
2.64
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
57.37

Supplementary Information

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