SMILES:
COc1cccc(NC(=O)c2ccc(OCC(C)C)c(C#N)c2)c1.ClCClMolecular Processing
Molecular formula
C20H22Cl2N2O3
Molecular weight
409.31
Exact mass
408.1007
XLogP
5.28
TPSA
71.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
109.01
Supplementary Information
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