COC1CCN(c2ccc([N+](=O)[O-])c(C3=CC(C)(C)CC(C)(C)C3)c2)CC1
SMILES: COC1CCN(c2ccc([N+](=O)[O-])c(C3=CC(C)(C)CC(C)(C)C3)c2)CC1

Molecular Processing

Molecular formula
C22H32N2O3
Molecular weight
372.51
Exact mass
372.2413
XLogP
5.44
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
110.11

Supplementary Information

Details werden geladen…

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