SMILES:
COc1cc(F)cc(-c2n[nH]c3ncnc(N)c23)c1Molecular Processing
Molecular formula
C12H10FN5O
Molecular weight
259.24
Exact mass
259.0869
XLogP
1.75
TPSA
89.71
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
68.04
Supplementary Information
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