C=CCOC(=O)N1CCCC(OC)C1CC(=O)CBr
SMILES: C=CCOC(=O)N1CCCC(OC)C1CC(=O)CBr

Molecular Processing

Molecular formula
C13H20BrNO4
Molecular weight
334.21
Exact mass
333.0576
XLogP
2.14
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
75.49

Supplementary Information

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