SMILES:
CCCOc1ccc(C=CC(=O)O)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1Molecular Processing
Molecular formula
C21H24N4O4
Molecular weight
396.45
Exact mass
396.1798
XLogP
3.39
TPSA
110.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.07
Supplementary Information
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