COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1
SMILES: COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1

Molecular Processing

Molecular formula
C13H17N3O4
Molecular weight
279.3
Exact mass
279.1219
XLogP
1.13
TPSA
75.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
74.15

Supplementary Information

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