SMILES:
Clc1ccnc(-c2ccc(Br)s2)c1Molecular Processing
Molecular formula
C9H5BrClNS
Molecular weight
274.57
Exact mass
272.9015
XLogP
4.23
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
60.26
Supplementary Information
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