N#Cc1cc(Cl)c(-n2cc3c(Nc4nccc(CF)n4)nccc3n2)c(Cl)c1
SMILES: N#Cc1cc(Cl)c(-n2cc3c(Nc4nccc(CF)n4)nccc3n2)c(Cl)c1

Molecular Processing

Molecular formula
C18H10Cl2FN7
Molecular weight
414.23
Exact mass
413.0359
XLogP
4.6
TPSA
92.31
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
103.73

Supplementary Information

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