SMILES:
CC1(C)N=C(C2SCCCS2)c2cc(Br)ccc2O1Molecular Processing
Molecular formula
C14H16BrNOS2
Molecular weight
358.33
Exact mass
356.9857
XLogP
4.56
TPSA
21.59
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.71
Supplementary Information
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