SMILES:
O=C(CCCCCBr)Nc1ccccc1Molecular Processing
Molecular formula
C12H16BrNO
Molecular weight
270.17
Exact mass
269.0415
XLogP
3.58
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
15
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
0.417
Molar refractivity
67.33
Supplementary Information
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