C#Cc1cnn2c(C)cc(-c3ccc(C(F)(F)F)cc3)nc12
SMILES: C#Cc1cnn2c(C)cc(-c3ccc(C(F)(F)F)cc3)nc12

Molecular Processing

Molecular formula
C16H10F3N3
Molecular weight
301.27
Exact mass
301.0827
XLogP
3.7
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
76.1

Supplementary Information

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