SMILES:
Cc1cccc(C)c1-n1cc(C#N)c(=O)n(SC(Cl)(Cl)C(Cl)Cl)c1=OMolecular Processing
Molecular formula
C15H11Cl4N3O2S
Molecular weight
439.15
Exact mass
436.9326
XLogP
3.92
TPSA
67.79
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
103.41
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→