Cc1c(C(=O)O)oc2cccc(OCCCBr)c12
SMILES: Cc1c(C(=O)O)oc2cccc(OCCCBr)c12

Molecular Processing

Molecular formula
C13H13BrO4
Molecular weight
313.15
Exact mass
311.9997
XLogP
3.6
TPSA
59.67
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.82

Supplementary Information

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