Name: 2-(3,4-dihydro-2,2-dimethyl-7-nitro-2H-1,4-benzoxazin-4-yl)pyridine N-oxide
SMILES:
CC1(C)CN(c2cccc[n+]2[O-])c2ccc([N+](=O)[O-])cc2O1Molecular Processing
Molecular formula
C15H15N3O4
Molecular weight
301.3
Exact mass
301.1063
XLogP
2.54
TPSA
82.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
80.21
Supplementary Information
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