SMILES:
Clc1nccc(-c2ccc(CCc3ccccc3)s2)n1Molecular Processing
Molecular formula
C16H13ClN2S
Molecular weight
300.81
Exact mass
300.0488
XLogP
4.64
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
84.21
Supplementary Information
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