CCC(O)(CC)c1ccc(Br)cn1
SMILES: CCC(O)(CC)c1ccc(Br)cn1

Molecular Processing

Molecular formula
C10H14BrNO
Molecular weight
244.13
Exact mass
243.0259
XLogP
2.85
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.42

Supplementary Information

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