CCOC(=O)C(C)(CCCCBr)c1ccc(CC(C)C)cc1
SMILES: CCOC(=O)C(C)(CCCCBr)c1ccc(CC(C)C)cc1

Molecular Processing

Molecular formula
C19H29BrO2
Molecular weight
369.34
Exact mass
368.1351
XLogP
5.27
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
96.61

Supplementary Information

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