NC(=N[N+](=O)[O-])NCCC[C@@H](N)C(=O)NCc1ccc(O)cc1
Name: (R)-N5 -[amino(nitroimino)methyl]-N-[(4-hydroxyphenyl)methyl)-ornithinamide
SMILES: NC(=N[N+](=O)[O-])NCCC[C@@H](N)C(=O)NCc1ccc(O)cc1

Molecular Processing

Molecular formula
C13H20N6O4
Molecular weight
324.34
Exact mass
324.1546
XLogP
-0.79
TPSA
168.9
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
83.78

Supplementary Information

Details werden geladen…

An 6 Reaktionen beteiligt