Name: product
SMILES:
COc1ccc(C(C#N)(CCCCCBr)SC2CCCCC2)cc1OCMolecular Processing
Molecular formula
C21H30BrNO2S
Molecular weight
440.45
Exact mass
439.1181
XLogP
6.44
TPSA
42.25
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
113.56
Supplementary Information
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Involved in 6 reactions→