SMILES:
Nc1nc(-c2ccc(CCCl)cc2)cs1Molecular Processing
Molecular formula
C11H11ClN2S
Molecular weight
238.74
Exact mass
238.0331
XLogP
3.17
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.182
Molar refractivity
66.39
Supplementary Information
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