SMILES:
COc1cc(OC)cc(-c2ccc(C#N)c3ncc(Cl)nc23)c1Molecular Processing
Molecular formula
C17H12ClN3O2
Molecular weight
325.75
Exact mass
325.0618
XLogP
3.84
TPSA
68.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
87.8
Supplementary Information
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Involved in 5 reactions→