SMILES:
CC1=NN(c2ccc3c(c2)CCCC3)C(=O)C1=NNc1cccc(-c2ccc(C(=O)O)o2)c1OMolecular Processing
Molecular formula
C25H22N4O5
Molecular weight
458.47
Exact mass
458.159
XLogP
4.42
TPSA
127.73
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
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
0.2
Molar refractivity
127.5
Supplementary Information
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