이름: compound
SMILES:
CSC1C(=O)Nc2ccc(C#N)cc21Molecular Processing
Molecular formula
C10H8N2OS
Molecular weight
204.25
Exact mass
204.0357
XLogP
1.91
TPSA
52.89
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.04
Supplementary Information
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