SMILES:
Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1Molecular Processing
Molecular formula
C22H21N3O4
Molecular weight
391.43
Exact mass
391.1532
XLogP
4.39
TPSA
109.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
106.34
Supplementary Information
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