SMILES:
CC(=NO)c1cnc2nnn(C(C)c3c(F)cc4ncccc4c3F)c2n1Molecular Processing
Molecular formula
C17H13F2N7O
Molecular weight
369.34
Exact mass
369.115
XLogP
2.86
TPSA
101.97
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.59
Supplementary Information
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