SMILES:
CNCc1cc(Cl)c(F)cn1Molecular Processing
Molecular formula
C7H8ClFN2
Molecular weight
174.61
Exact mass
174.036
XLogP
1.59
TPSA
24.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
41.97
Supplementary Information
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