SMILES:
CCN1C(=O)C(=CC=Cc2c(C)c(C#N)c(=O)n(CC)c2O)C(C)=C(C#N)C1=O.[NH4+]Molecular Processing
Molecular formula
C21H24N5O4+
Molecular weight
410.45
Exact mass
410.1823
XLogP
2.3
TPSA
163.69
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
111.3
Supplementary Information
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