SMILES:
CN(C)c1ncc(Br)s1Molecular Processing
Molecular formula
C5H7BrN2S
Molecular weight
207.1
Exact mass
205.9513
XLogP
1.97
TPSA
16.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
44.14
Supplementary Information
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