Name: 6-nitro-2-[4-t-butylphenyl]-4H-3,1-benzoxazin-4-one
SMILES:
CC(C)(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1Molecular Processing
Molecular formula
C18H16N2O4
Molecular weight
324.34
Exact mass
324.111
XLogP
4.06
TPSA
86.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.07
Supplementary Information
Details werden geladen…
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