SMILES:
C(#Cc1ccccn1)C1=CCSCC1Molecular Processing
Molecular formula
C12H11NS
Molecular weight
201.29
Exact mass
201.0612
XLogP
2.5
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.14
Supplementary Information
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