Name: (1-ethylpropyl)-3-(methoxymethyl)-4-methyl-2,6-dinitroaniline
SMILES:
CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(COC)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H21N3O5
Molecular weight
311.34
Exact mass
311.1481
XLogP
3.56
TPSA
107.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
83.19
Supplementary Information
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