SMILES:
Cc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)[nH]1Molecular Processing
Molecular formula
C13H14Cl2N2S
Molecular weight
301.24
Exact mass
300.0255
XLogP
5.3
TPSA
28.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78
Supplementary Information
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