Name: methyl 2-bromo-3-(3-oxocyclohex-1-enylamino)benzoate
SMILES:
COC(=O)c1cccc(NC2=CC(=O)CCC2)c1BrMolecular Processing
Molecular formula
C14H14BrNO3
Molecular weight
324.17
Exact mass
323.0157
XLogP
3.28
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.05
Supplementary Information
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