SMILES:
CCc1ccc(CN2Cc3cc(Br)cc(Cl)c3C2=O)cc1Molecular Processing
Molecular formula
C17H15BrClNO
Molecular weight
364.67
Exact mass
363.0026
XLogP
4.82
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
88.55
Supplementary Information
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