SMILES:
COC=CC(=O)Nc1ccc(Br)cc1Molecular Processing
Molecular formula
C10H10BrNO2
Molecular weight
256.1
Exact mass
254.9895
XLogP
2.55
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
58.92
Supplementary Information
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