SMILES:
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCCC2)cc1CMolecular Processing
Molecular formula
C17H19N3O4
Molecular weight
329.36
Exact mass
329.1376
XLogP
3.53
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
87.5
Supplementary Information
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