SMILES:
COC(=O)C(C)C1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23Molecular Processing
Molecular formula
C15H15BrN2O4
Molecular weight
367.2
Exact mass
366.0215
XLogP
1.75
TPSA
81.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
85.07
Supplementary Information
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