Name: 3-Nitro-4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-pyridine
SMILES:
CCC(C)(C)c1ccc(Oc2ccncc2[N+](=O)[O-])c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C21H28N2O3
Molecular weight
356.47
Exact mass
356.21
XLogP
6.16
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
104.04
Supplementary Information
Details werden geladen…
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