SMILES:
Fc1ccc(C(Cl)Cn2ccnc2)cc1Molecular Processing
Molecular formula
C11H10ClFN2
Molecular weight
224.67
Exact mass
224.0517
XLogP
3
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
57.22
Supplementary Information
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