SMILES:
COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1OMolecular Processing
Molecular formula
C18H18N2O3
Molecular weight
310.35
Exact mass
310.1317
XLogP
3.45
TPSA
82.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
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
0.222
Molar refractivity
87.69
Supplementary Information
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