COc1sccc1-c1cc2c(N)ncc(C(N)=O)c2s1
SMILES: COc1sccc1-c1cc2c(N)ncc(C(N)=O)c2s1

Molecular Processing

Molecular formula
C13H11N3O2S2
Molecular weight
305.38
Exact mass
305.0293
XLogP
2.71
TPSA
91.23
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
82.42

Supplementary Information

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