SMILES:
CNc1nc(-c2ccc(CCCl)cc2)cs1Molecular Processing
Molecular formula
C12H13ClN2S
Molecular weight
252.77
Exact mass
252.0488
XLogP
3.63
TPSA
24.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.25
Molar refractivity
71.52
Supplementary Information
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