SMILES:
COc1ccc(CNc2nnc(Cl)c3ccc(C#N)cc23)cc1ClMolecular Processing
Molecular formula
C17H12Cl2N4O
Molecular weight
359.22
Exact mass
358.0388
XLogP
4.43
TPSA
70.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
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
0.118
Molar refractivity
94.59
Supplementary Information
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