CCOC(=O)CN1CC(=O)Nc2ncc(Br)cc2C1
SMILES: CCOC(=O)CN1CC(=O)Nc2ncc(Br)cc2C1

Molecular Processing

Molecular formula
C12H14BrN3O3
Molecular weight
328.17
Exact mass
327.0219
XLogP
1.16
TPSA
71.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
72.48

Supplementary Information

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