SMILES:
CCOC(Cn1nc(-c2cccnc2)cc1Nc1cc([N+](=O)[O-])ccc1C)OCCMolecular Processing
Molecular formula
C21H25N5O4
Molecular weight
411.46
Exact mass
411.1907
XLogP
4.3
TPSA
104.34
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
113.61
Supplementary Information
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