SMILES:
COc1cc2c(cc1C#CC(=O)O)C(=O)c1c([nH]c3cc(C#N)ccc13)C2(C)CMolecular Processing
Molecular formula
C23H16N2O4
Molecular weight
384.39
Exact mass
384.111
XLogP
3.35
TPSA
103.18
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
106.08
Supplementary Information
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