SMILES:
Cc1ccnc2c1C(=O)CC(c1cc(Br)sc1Br)C2Molecular Processing
Molecular formula
C14H11Br2NOS
Molecular weight
401.12
Exact mass
398.8928
XLogP
4.89
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
84.09
Supplementary Information
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