SMILES:
CC1=NN(c2ccc3c(c2)CCC3)C(=O)C1=NNc1cccc(-c2ccc(C(=O)O)o2)c1OMolecular Processing
Molecular formula
C24H20N4O5
Molecular weight
444.45
Exact mass
444.1434
XLogP
4.03
TPSA
127.73
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
122.89
Supplementary Information
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