COc1ccc(CCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1
SMILES: COc1ccc(CCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1

Molecular Processing

Molecular formula
C19H28ClN6O2+
Molecular weight
407.93
Exact mass
407.1957
XLogP
1.74
TPSA
116.15
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
111.36

Supplementary Information

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