SMILES:
CC(C)(C)c1cc2ncc(C#Cc3cccc(F)c3)cn2n1Molecular Processing
Molecular formula
C18H16FN3
Molecular weight
293.34
Exact mass
293.1328
XLogP
3.57
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
84.07
Supplementary Information
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