C=C(CCl)CC(C(=O)OCC)c1ccc(Br)cc1
SMILES: C=C(CCl)CC(C(=O)OCC)c1ccc(Br)cc1

Molecular Processing

Molecular formula
C14H16BrClO2
Molecular weight
331.64
Exact mass
330.0022
XLogP
4.28
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
77.99

Supplementary Information

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