Name: N-n-butyl-3,4-dimethyl-2,6-dinitroaniline
SMILES:
CCCCNc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H17N3O4
Molecular weight
267.28
Exact mass
267.1219
XLogP
3.33
TPSA
98.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.62
Supplementary Information
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