SMILES:
COc1ccc(Br)cc1SCc1ccccc1C1=NCCCN1Molecular Processing
Molecular formula
C18H19BrN2OS
Molecular weight
391.33
Exact mass
390.0401
XLogP
4.49
TPSA
33.62
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
100.72
Supplementary Information
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