Name: compound 33-e
SMILES:
CC(=O)NC(C)(C)c1ccc(-c2ccc(Br)cc2)nc1Molecular Processing
Molecular formula
C16H17BrN2O
Molecular weight
333.23
Exact mass
332.0524
XLogP
3.88
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.22
Supplementary Information
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