SMILES:
COc1ccc(C(C#N)C(C)c2cc3cc(Br)ccc3s2)cc1Molecular Processing
Molecular formula
C19H16BrNOS
Molecular weight
386.31
Exact mass
385.0136
XLogP
6.08
TPSA
33.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
99.29
Supplementary Information
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