SMILES:
COc1ccc(CNc2nnc(Cl)c3ccc(C#N)cc23)cc1C#NMolecular Processing
Molecular formula
C18H12ClN5O
Molecular weight
349.78
Exact mass
349.073
XLogP
3.65
TPSA
94.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
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
0.111
Molar refractivity
94.3
Supplementary Information
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