SMILES:
CCCCC(O)c1cccc(Br)n1Molecular Processing
Molecular formula
C10H14BrNO
Molecular weight
244.13
Exact mass
243.0259
XLogP
3.07
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
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
0.5
Molar refractivity
56.42
Supplementary Information
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