이름: compound ( 13 )
SMILES:
Cc1cccc(Cc2ccccc2)c1NC(=O)CBrMolecular Processing
Molecular formula
C16H16BrNO
Molecular weight
318.21
Exact mass
317.0415
XLogP
3.92
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.85
Supplementary Information
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