SMILES:
CCCC(=O)CNC(=O)C1(Br)CC1Molecular Processing
Molecular formula
C9H14BrNO2
Molecular weight
248.12
Exact mass
247.0208
XLogP
1.4
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
53.82
Supplementary Information
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