CCOC(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cn2)c1-c1ccccc1
SMILES: CCOC(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cn2)c1-c1ccccc1

Molecular Processing

Molecular formula
C19H17N3O4
Molecular weight
351.36
Exact mass
351.1219
XLogP
3.93
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
96.35

Supplementary Information

Details werden geladen…

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