SMILES:
Cc1cccc(C(Br)C(=O)c2ccc3c(c2)OCO3)[nH+]1Molecular Processing
Molecular formula
C15H13BrNO3+
Molecular weight
335.18
Exact mass
334.0073
XLogP
2.86
TPSA
49.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
76.3
Supplementary Information
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