SMILES:
COc1cc(-c2nn(C)c(C#N)c2C)c(F)cc1ClMolecular Processing
Molecular formula
C13H11ClFN3O
Molecular weight
279.7
Exact mass
279.0575
XLogP
3.07
TPSA
50.84
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
69.62
Supplementary Information
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