Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCBr)O2
SMILES: Cc1c(C)c2c(c(C)c1NC(=O)OC(C)(C)C)CC(C)(CCBr)O2

Molecular Processing

Molecular formula
C19H28BrNO3
Molecular weight
398.34
Exact mass
397.1253
XLogP
5.44
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
101.66

Supplementary Information

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