SMILES:
C[C@@]1(Cc2ccc(C#N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21Molecular Processing
Molecular formula
C20H14Cl2N4O
Molecular weight
397.27
Exact mass
396.0545
XLogP
4.7
TPSA
61.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
104.34
Supplementary Information
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