SMILES:
COC(=O)C1=C(C)Nc2c(c(C3CCCCC3)nn2C)C1c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C22H26N4O4
Molecular weight
410.47
Exact mass
410.1954
XLogP
4.38
TPSA
99.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
112.31
Supplementary Information
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