COc1ccc(OC)c2c(Cl)c(C#N)cnc12
SMILES: COc1ccc(OC)c2c(Cl)c(C#N)cnc12

Molecular Processing

Molecular formula
C12H9ClN2O2
Molecular weight
248.67
Exact mass
248.0353
XLogP
2.78
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
64.57

Supplementary Information

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