SMILES:
CC(C#N)(Cn1nc2ccccc2n1)NC(=S)c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C18H14F3N5S
Molecular weight
389.41
Exact mass
389.0922
XLogP
3.7
TPSA
66.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
97.83
Supplementary Information
Details werden geladen…
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