Name: 5-Bromo-3-methyl-1,3-dihydro-indol-2-one
SMILES:
CC1C(=O)Nc2ccc(Br)cc21Molecular Processing
Molecular formula
C9H8BrNO
Molecular weight
226.07
Exact mass
224.9789
XLogP
2.5
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
51.19
Supplementary Information
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