SMILES:
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCOCC2)cc1OCMolecular Processing
Molecular formula
C17H19N3O6
Molecular weight
361.35
Exact mass
361.1274
XLogP
2.47
TPSA
105.72
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
90.9
Supplementary Information
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