SMILES:
O=C1NC(=S)SC1=Cc1ccc2c(cnn2Cc2ccc(Cl)cc2C(F)(F)F)c1Molecular Processing
Molecular formula
C19H11ClF3N3OS2
Molecular weight
453.9
Exact mass
452.9984
XLogP
5.25
TPSA
46.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
111.6
Supplementary Information
Details werden geladen…
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