SMILES:
CCOC(=O)c1cc(-c2nn(C)c(C#N)c2C)c(F)cc1ClMolecular Processing
Molecular formula
C15H13ClFN3O2
Molecular weight
321.74
Exact mass
321.068
XLogP
3.24
TPSA
67.91
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
79.02
Supplementary Information
Details werden geladen…
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