SMILES:
CCCC(=O)C(Cc1ccc(Br)cc1)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C17H24BrNO3
Molecular weight
370.29
Exact mass
369.094
XLogP
4.25
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
90.92
Supplementary Information
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