SMILES:
CC(C)(C)OC(=O)/C=C/c1cnc(N)c2c(Br)csc12Molecular Processing
Molecular formula
C14H15BrN2O2S
Molecular weight
355.26
Exact mass
354.0038
XLogP
4
TPSA
65.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
86.61
Supplementary Information
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