NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(O)cc1
SMILES: NC(=N[N+](=O)[O-])NCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(O)cc1

Molecular Processing

Molecular formula
C21H26N6O5
Molecular weight
442.48
Exact mass
442.1965
XLogP
0.61
TPSA
171.98
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
117.88

Supplementary Information

Details werden geladen…

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