SMILES:
CC(C)(C)OC(=O)N1C(=O)C2(F)CCCC2c2cc(Br)ccc21Molecular Processing
Molecular formula
C17H19BrFNO3
Molecular weight
384.25
Exact mass
383.0532
XLogP
4.71
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
88.29
Supplementary Information
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