Name: solution
SMILES:
CCOC(=O)CCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)c2ccc(Cl)cc2)c1Molecular Processing
Molecular formula
C25H28ClN3O3
Molecular weight
453.97
Exact mass
453.1819
XLogP
5.57
TPSA
73.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
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
0.32
Molar refractivity
126.62
Supplementary Information
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