SMILES:
CC1C(c2c([N+](=O)[O-])cnn2C)OCC2(C)OC12Molecular Processing
Molecular formula
C11H15N3O4
Molecular weight
253.26
Exact mass
253.1063
XLogP
1.19
TPSA
82.72
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
61
Supplementary Information
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