Name: N-sec-butyl-4-tert-butyl-2,6-dinitroaniline
SMILES:
CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H21N3O4
Molecular weight
295.34
Exact mass
295.1532
XLogP
4.01
TPSA
98.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
81.83
Supplementary Information
Details werden geladen…
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