SMILES:
Nc1nc(-c2ccc(CCCCCl)cc2)cs1Molecular Processing
Molecular formula
C13H15ClN2S
Molecular weight
266.8
Exact mass
266.0644
XLogP
3.95
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
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
0.308
Molar refractivity
75.62
Supplementary Information
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