SMILES:
CCOC(=O)c1cc(C2=C(Br)CCC2)ccc1NMolecular Processing
Molecular formula
C14H16BrNO2
Molecular weight
310.19
Exact mass
309.0364
XLogP
3.74
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.51
Supplementary Information
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