SMILES:
Cc1nc(OCCCCn2cncn2)c([N+](=O)[O-])c(N2CCc3ccccc3CC2)n1Molecular Processing
Molecular formula
C21H25N7O3
Molecular weight
423.48
Exact mass
423.2019
XLogP
2.75
TPSA
112.1
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
114.24
Supplementary Information
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