CC(C)(C)OC(=O)N1CCCC1(Cc1ccc(Br)cc1)C(=O)O
SMILES: CC(C)(C)OC(=O)N1CCCC1(Cc1ccc(Br)cc1)C(=O)O

Molecular Processing

Molecular formula
C17H22BrNO4
Molecular weight
384.27
Exact mass
383.0732
XLogP
3.85
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
90.39

Supplementary Information

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